3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]phthalazine-1-carboxamide CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]phthalazine-1-carboxamide Formula: C23H25N5O5S MolecularWeight: 483.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C23H25N5O5S/c1-16-7-9-17(10-8-16)34(32,33)27-12-4-11-26(13-14-27)20(29)15-28-23(31)19-6-3-2-5-18(19)21(25-28)22(24)30/h2-3,5-10H,4,11-15H2,1H3,(H2,24,30)