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

Systemtic Name: N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)C(=O)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CCN(CC3)C(=O)C4CC4)OC1

InChI

InChI=1S/C19H25N3O6S/c23-18(21-6-8-22(9-7-21)19(24)14-2-3-14)13-20-29(25,26)15-4-5-16-17(12-15)28-11-1-10-27-16/h4-5,12,14,20H,1-3,6-11,13H2