4,5-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3C=CC=C3)C

InChI

InChI=1S/C20H22N4O5S2/c1-13-14(2)30-20(23-10-4-5-11-23)18(13)19(25)22-9-8-21-16-7-6-15(31(3,28)29)12-17(16)24(26)27/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,25)