N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1H-pyrrole-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)C(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)C(=O)C)S(=O)(=O)N3CCCCCC3

InChI

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