4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,5-dimethylphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-1-methyl-pyrrole-2-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O3S/c1-15-10-16(2)12-17(11-15)21-20(24)19-13-18(14-22(19)3)27(25,26)23-8-6-4-5-7-9-23/h10-14H,4-9H2,1-3H3,(H,21,24)