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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethanoylphenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: N-(4-acetylphenyl)-4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxamide CAS Name: N-(4-acetylphenyl)-4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-(4-acetylphenyl)-4-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide Traditional Name: N-(4-acetylphenyl)-4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15(24)16-7-9-17(10-8-16)21-20(25)19-13-18(14-22(19)2)28(26,27)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,25)