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

Systemtic Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C22H26N4O7S/c27-22(25-12-10-24(11-13-25)17-2-4-18(5-3-17)26(28)29)8-9-23-34(30,31)19-6-7-20-21(16-19)33-15-1-14-32-20/h2-7,16,23H,1,8-15H2