3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-5,5-dimethyl-2-oxidanylidene-azepan-3-yl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-5,5-dimethyl-2-oxidanylidene-azepan-3-yl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-5,5-dimethyl-2-oxo-azepan-3-yl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-5,5-dimethyl-2-oxo-3-azepanyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-5,5-dimethyl-2-oxoazepan-3-yl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-keto-5,5-dimethyl-azepan-3-yl]amino]methyl]phenyl]propionic acid Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCNC(=O)C(C1)N(CC2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H29ClN2O5S/c1-24(2)13-14-26-23(30)21(15-24)27(33(31,32)20-10-8-19(25)9-11-20)16-18-5-3-17(4-6-18)7-12-22(28)29/h3-6,8-11,21H,7,12-16H2,1-2H3,(H,26,30)(H,28,29)/t21-/m1/s1