N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methoxyethyl)-4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-methoxyethyl)-4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCOC

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCOC

InChI

InChI=1S/C21H29N3O4S/c1-23-14-6-8-19(23)20-7-4-3-5-15-24(20)21(25)17-9-11-18(12-10-17)29(26,27)22-13-16-28-2/h6,8-12,14,20,22H,3-5,7,13,15-16H2,1-2H3