N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-keto-3-(4-o-phenetylpiperazino)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H31N3O6S/c1-2-31-21-7-4-3-6-20(21)26-12-14-27(15-13-26)24(28)10-11-25-34(29,30)19-8-9-22-23(18-19)33-17-5-16-32-22/h3-4,6-9,18,25H,2,5,10-17H2,1H3