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

Systemtic Name: N-[4-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)piperazino]-4-keto-butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c25-20(23-9-11-24(12-10-23)21(26)16-4-5-16)3-1-8-22-31(27,28)17-6-7-18-19(15-17)30-14-2-13-29-18/h6-7,15-16,22H,1-5,8-14H2