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

Systemtic Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-keto-2-(4-p-anisylpiperazino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H29N3O6S MolecularWeight: 475.55786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O6S/c1-30-19-5-3-18(4-6-19)17-25-9-11-26(12-10-25)23(27)16-24-33(28,29)20-7-8-21-22(15-20)32-14-2-13-31-21/h3-8,15,24H,2,9-14,16-17H2,1H3