3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(3-methyl-2-oxo-benzimidazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6S/c1-23-16-5-3-4-6-17(16)24(20(23)27)12-9-19(26)22-11-10-21-15-8-7-14(32(2,30)31)13-18(15)25(28)29/h3-8,13,21H,9-12H2,1-2H3,(H,22,26)