methyl 3-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(2-methylpiperidino)sulfonylbenzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-17-8-6-7-15-25(17)31(28,29)20-13-11-19(12-14-20)23(27)24-21(16-22(26)30-2)18-9-4-3-5-10-18/h3-5,9-14,17,21H,6-8,15-16H2,1-2H3,(H,24,27)