N-[3-[2-(1H-indol-3-ylcarbonyl)hydrazinyl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-[2-(1H-indol-3-ylcarbonyl)hydrazinyl]-3-oxidanylidene-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[2-(1H-indole-3-carbonyl)hydrazino]-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[[1H-indol-3-yl(oxo)methyl]hydrazo]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[N'-(1H-indole-3-carbonyl)hydrazino]-3-keto-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NNC(=O)C3=CNC4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NNC(=O)C3=CNC4=CC=CC=C43)OC1

InChI

InChI=1S/C21H22N4O6S/c26-20(24-25-21(27)16-13-22-17-5-2-1-4-15(16)17)8-9-23-32(28,29)14-6-7-18-19(12-14)31-11-3-10-30-18/h1-2,4-7,12-13,22-23H,3,8-11H2,(H,24,26)(H,25,27)