N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]acetamide Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O5S2/c1-21-17-22(20-37-25-11-4-2-5-12-25)15-16-27(21)29-28(32)19-30(23-9-8-10-24(18-23)31(33)34)38(35,36)26-13-6-3-7-14-26/h2-18H,19-20H2,1H3,(H,29,32)