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

Systemtic Name: N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C(=O)C2CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C(=O)C2CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H27N3O6S/c1-21(14-19(24)22-7-9-23(10-8-22)20(25)15-3-4-15)30(26,27)16-5-6-17-18(13-16)29-12-2-11-28-17/h5-6,13,15H,2-4,7-12,14H2,1H3