N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C24H32N4O4S/c1-32-23-8-3-2-7-22(23)28-16-14-27(15-17-28)13-5-12-25-33(30,31)20-10-11-21-19(18-20)6-4-9-24(29)26-21/h2-3,7-8,10-11,18,25H,4-6,9,12-17H2,1H3,(H,26,29)