2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[4-[(phenylthio)methyl]phenyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[4-[(phenylthio)methyl]phenyl]acetamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H23N3O5S2/c1-17-8-13-20(26(28)29)14-22(17)25(33(2,30)31)15-23(27)24-19-11-9-18(10-12-19)16-32-21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3,(H,24,27)