5-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-12-3-6-17-13(9-12)10-18(28-17)19(23)21-8-7-20-15-5-4-14(29(2,26)27)11-16(15)22(24)25/h4-5,10-12,20H,3,6-9H2,1-2H3,(H,21,23)