N-ethyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C20H27N3O3S/c1-3-21-27(25,26)17-10-7-9-16(15-17)20(24)23-14-6-4-5-11-19(23)18-12-8-13-22(18)2/h7-10,12-13,15,19,21H,3-6,11,14H2,1-2H3