4-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methyl-pyrrole-2-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-3-16-9-8-10-17(13-16)21-20(24)19-14-18(15-22(19)2)27(25,26)23-11-6-4-5-7-12-23/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,21,24)