6-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-9-3-6-12-14(7-9)26-17(15(12)16(18)21)19-27(24,25)11-5-4-10(2)13(8-11)20(22)23/h4-5,8-9,19H,3,6-7H2,1-2H3,(H2,18,21)