3-(4-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(p-tolyl)thiophene-2-carboxamide CAS Name: 3-(4-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thiophenecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(p-tolyl)thiophene-2-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-14-3-5-15(6-4-14)17-9-12-30-20(17)21(25)23-11-10-22-18-8-7-16(31(2,28)29)13-19(18)24(26)27/h3-9,12-13,22H,10-11H2,1-2H3,(H,23,25)