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

Systemtic Name: N-(4-methylsulfonylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-methylsulfonylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-methylsulfonylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-mesylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C20H20N2O3S2/c1-27(24,25)15-10-8-14(9-11-15)21-19(23)18-16-6-2-3-7-17(16)26-20(18)22-12-4-5-13-22/h4-5,8-13H,2-3,6-7H2,1H3,(H,21,23)