4-(azepan-1-ylsulfonyl)-N-(4-methylphenyl)thiophene-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylphenyl)thiophene-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(p-tolyl)thiophene-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methylphenyl)-2-thiophenecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylphenyl)thiophene-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(p-tolyl)thiophene-2-carboxamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O3S2/c1-14-6-8-15(9-7-14)19-18(21)17-12-16(13-24-17)25(22,23)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,21)