[4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl 2-(phenylsulfonylamino)ethanoate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl 2-(phenylsulfonylamino)ethanoate Openeye Name: [4-(2-chloro-4-nitro-phenyl)sulfanylphenyl]methyl 2-(benzenesulfonamido)acetate CAS Name: 2-(benzenesulfonamido)acetic acid [4-[(2-chloro-4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(2-chloro-4-nitrophenyl)sulfanylphenyl]methyl 2-(benzenesulfonamido)acetate Traditional Name: 2-(benzenesulfonamido)acetic acid [4-[(2-chloro-4-nitro-phenyl)thio]benzyl] ester Formula: C21H17ClN2O6S2 MolecularWeight: 492.95248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O6S2/c22-19-12-16(24(26)27)8-11-20(19)31-17-9-6-15(7-10-17)14-30-21(25)13-23-32(28,29)18-4-2-1-3-5-18/h1-12,23H,13-14H2