3-[(4-methylphenyl)sulfonylamino]-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]propanamide Openeye Name: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide Traditional Name: N-[(4-keto-3H-phthalazin-1-yl)methyl]-3-(tosylamino)propionamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N4O4S/c1-13-6-8-14(9-7-13)28(26,27)21-11-10-18(24)20-12-17-15-4-2-3-5-16(15)19(25)23-22-17/h2-9,21H,10-12H2,1H3,(H,20,24)(H,23,25)