methyl 2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H30N2O5S/c1-17-12-18(2)16-26(15-17)32(29,30)21-11-7-10-20(14-21)23(27)25-22(24(28)31-3)13-19-8-5-4-6-9-19/h4-11,14,17-18,22H,12-13,15-16H2,1-3H3,(H,25,27)