methyl 2-[4-[(3-methyl-2-phenyl-butyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-methyl-2-phenyl-butyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-methyl-2-phenyl-butyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(3-methyl-2-phenylbutyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methyl-2-phenylbutyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-methyl-2-phenyl-butyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-18(2)22(19-9-5-4-6-10-19)17-26-24(28)20-13-15-27(16-14-20)33(30,31)23-12-8-7-11-21(23)25(29)32-3/h4-12,18,20,22H,13-17H2,1-3H3,(H,26,28)