N-[2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Openeye Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride CAS Name: N-[2-(4-methyl-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride IUPAC Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Traditional Name: N-[2-(4-methylpiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride Formula: C20H26ClN3O4S MolecularWeight: 439.95614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

InChI

InChI=1S/C20H25N3O4S.ClH/c1-22-9-11-23(12-10-22)18-6-3-2-5-17(18)21-28(24,25)16-7-8-19-20(15-16)27-14-4-13-26-19;/h2-3,5-8,15,21H,4,9-14H2,1H3;1H