N-(4-methyl-3-sulfamoyl-phenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-methyl-3-sulfamoylphenyl)-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-methyl-3-sulfamoylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C20H21N3O3S2/c1-13-8-9-14(12-17(13)28(21,25)26)22-19(24)18-15-6-2-3-7-16(15)27-20(18)23-10-4-5-11-23/h4-5,8-12H,2-3,6-7H2,1H3,(H,22,24)(H2,21,25,26)