dimethyl 2-[2-[4-[(2-azanyl-2-methyl-propanoyl)amino]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-[2,6-bis(chloranyl)phenyl]-6-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-[(2-azanyl-2-methyl-propanoyl)amino]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-[2,6-bis(chloranyl)phenyl]-6-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-[2-[4-[(2-amino-2-methyl-propanoyl)amino]-1-piperidyl]-2-oxo-ethyl]-6-(benzenesulfinylmethyl)-4-(2,6-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[2-[4-[(2-amino-2-methyl-1-oxopropyl)amino]-1-piperidinyl]-2-oxoethyl]-6-(benzenesulfinylmethyl)-4-(2,6-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[4-[(2-amino-2-methylpropanoyl)amino]piperidin-1-yl]-2-oxoethyl]-6-(benzenesulfinylmethyl)-4-(2,6-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[2-[4-[(2-amino-2-methyl-propanoyl)amino]piperidino]-2-keto-ethyl]-6-(benzenesulfinylmethyl)-4-(2,6-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C33H38Cl2N4O7S MolecularWeight: 705.64842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CCN(CC1)C(=O)CC2=C(C(C(=C(N2)CS(=O)C3=CC=CC=C3)C(=O)OC)C4=C(C=CC=C4Cl)Cl)C(=O)OC)N

Isomeric SMILES

CC(C)(C(=O)NC1CCN(CC1)C(=O)CC2=C(C(C(=C(N2)CS(=O)C3=CC=CC=C3)C(=O)OC)C4=C(C=CC=C4Cl)Cl)C(=O)OC)N

InChI

InChI=1S/C33H38Cl2N4O7S/c1-33(2,36)32(43)37-19-13-15-39(16-14-19)25(40)17-23-27(30(41)45-3)29(26-21(34)11-8-12-22(26)35)28(31(42)46-4)24(38-23)18-47(44)20-9-6-5-7-10-20/h5-12,19,29,38H,13-18,36H2,1-4H3,(H,37,43)