2-[[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-piperidin-1-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-piperidin-1-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-1-piperidyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenyl-1-piperidinyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidin-1-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[[4-[(o-anisoylamino)methyl]-4-phenyl-piperidino]sulfonylamino]butyric acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O6S/c1-18(2)22(24(30)31)27-35(32,33)28-15-13-25(14-16-28,19-9-5-4-6-10-19)17-26-23(29)20-11-7-8-12-21(20)34-3/h4-12,18,22,27H,13-17H2,1-3H3,(H,26,29)(H,30,31)