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

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-17(25)18-9-11-19(12-10-18)28(26,27)22-16-21(20-8-7-13-23(20)2)24-14-5-3-4-6-15-24/h7-13,21-22H,3-6,14-16H2,1-2H3