2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N,N-dipropyl-benzenesulfonamide Openeye Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N,N-dipropyl-benzenesulfonamide CAS Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N,N-dipropylbenzenesulfonamide IUPAC Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N,N-dipropylbenzenesulfonamide Traditional Name: 5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-N,N-dipropyl-benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=C2CCCC3)C

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=C2CCCC3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-12-24(13-5-2)28(26,27)19-14-16(11-10-15(19)3)20-17-8-6-7-9-18(17)21(25)23-22-20/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,25)