4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-ethyl-6-methylphenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methylphenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-1-methyl-pyrrole-2-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-17-11-9-10-16(2)20(17)22-21(25)19-14-18(15-23(19)3)28(26,27)24-12-7-5-6-8-13-24/h9-11,14-15H,4-8,12-13H2,1-3H3,(H,22,25)