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

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)OC1

InChI

InChI=1S/C23H26N4O5S/c24-15-18-2-4-19(5-3-18)17-26-8-10-27(11-9-26)23(28)16-25-33(29,30)20-6-7-21-22(14-20)32-13-1-12-31-21/h2-7,14,25H,1,8-13,16-17H2