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

Systemtic Name: 2-methoxy-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-2-methoxy-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: 2-methoxy-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 2-methoxy-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-2-methoxy-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)OC

InChI

InChI=1S/C22H31N3O4S/c1-16(2)23-30(27,28)21-15-17(11-12-20(21)29-4)22(26)25-14-7-5-6-9-19(25)18-10-8-13-24(18)3/h8,10-13,15-16,19,23H,5-7,9,14H2,1-4H3