4-ethanoyl-N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C26H29N3O4S/c1-19(30)20-11-15-23(16-12-20)34(32,33)27-22-13-9-21(10-14-22)26(31)29-18-5-3-4-7-25(29)24-8-6-17-28(24)2/h6,8-17,25,27H,3-5,7,18H2,1-2H3