3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzothiophene-2-carboxamide CAS Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-benzothiophene-2-carboxamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S2/c1-12-14-5-3-4-6-17(14)28-18(12)19(23)21-10-9-20-15-8-7-13(29(2,26)27)11-16(15)22(24)25/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)