N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-N-(p-tolylmethyl)methanesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-N-[(4-methylphenyl)methyl]methanesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-N-(4-methylbenzyl)methanesulfonamide Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N4CCCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N4CCCCCC4)S(=O)(=O)C

InChI

InChI=1S/C24H28N2O3S2/c1-18-7-9-19(10-8-18)17-26(31(2,28)29)21-11-12-22-20(15-21)16-23(30-22)24(27)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14,17H2,1-2H3