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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O5S/c1-24(32(28,29)20-8-9-21-22(16-20)31-15-5-14-30-21)18-23(27)26-12-10-25(11-13-26)17-19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15,17-18H2,1H3