S-(2-acetamidoethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanethioate

Systemtic Name: S-(2-acetamidoethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanethioate Openeye Name: S-(2-acetamidoethyl) (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanethioate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propanethioic acid S-(2-acetamidoethyl) ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)SCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)SCCNC(=O)C

InChI

InChI=1S/C20H24N2O4S2/c1-15-8-10-18(11-9-15)28(25,26)22-19(14-17-6-4-3-5-7-17)20(24)27-13-12-21-16(2)23/h3-11,19,22H,12-14H2,1-2H3,(H,21,23)/t19-/m0/s1