2-methoxy-N,N-dimethyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-methoxy-N,N-dimethyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-methoxy-N,N-dimethyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: 2-methoxy-N,N-dimethyl-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-methoxy-N,N-dimethyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: 2-methoxy-N,N-dimethyl-5-[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)OC)S(=O)(=O)N(C)C

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H29N3O4S/c1-22(2)29(26,27)20-15-16(11-12-19(20)28-4)21(25)24-14-7-5-6-9-18(24)17-10-8-13-23(17)3/h8,10-13,15,18H,5-7,9,14H2,1-4H3