N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CSC3=C2CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CSC3=C2CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-28(25,26)12-6-7-15(16(10-12)21(23)24)19-8-9-20-18(22)14-11-27-17-5-3-2-4-13(14)17/h6-7,10-11,19H,2-5,8-9H2,1H3,(H,20,22)