(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanyl-propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylthio)propanoate IUPAC Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanylpropanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-(benzylthio)propionate Formula: C18H19N2O5S2- MolecularWeight: 407.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H](CSCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-13(21)19-15-7-9-16(10-8-15)27(24,25)20-17(18(22)23)12-26-11-14-5-3-2-4-6-14/h2-10,17,20H,11-12H2,1H3,(H,19,21)(H,22,23)/p-1/t17-/m1/s1