N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[4-(m-tolyl)piperazino]butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H33N3O4S/c1-20-6-4-7-21(18-20)27-14-12-26(13-15-27)11-3-2-10-25-32(28,29)22-8-9-23-24(19-22)31-17-5-16-30-23/h4,6-9,18-19,25H,2-3,5,10-17H2,1H3