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

Systemtic Name: N-[4-[2-(5-ethyl-4-methyl-thiophen-2-yl)carbonylhydrazinyl]-4-oxidanylidene-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[2-(5-ethyl-4-methyl-thiophene-2-carbonyl)hydrazino]-4-oxo-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]hydrazo]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[N'-(5-ethyl-4-methyl-thiophene-2-carbonyl)hydrazino]-4-keto-butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H27N3O6S2/c1-3-18-14(2)12-19(31-18)21(26)24-23-20(25)6-4-9-22-32(27,28)15-7-8-16-17(13-15)30-11-5-10-29-16/h7-8,12-13,22H,3-6,9-11H2,1-2H3,(H,23,25)(H,24,26)