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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-ethoxyphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-1-methyl-N-p-phenetyl-pyrrole-2-carboxamide Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-3-27-17-10-8-16(9-11-17)21-20(24)19-14-18(15-22(19)2)28(25,26)23-12-6-4-5-7-13-23/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,24)