4-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,4,6-trimethylphenyl)-2-thiophenecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-mesityl-thiophene-2-carboxamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-14-10-15(2)19(16(3)11-14)21-20(23)18-12-17(13-26-18)27(24,25)22-8-6-4-5-7-9-22/h10-13H,4-9H2,1-3H3,(H,21,23)