3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(2-naphthylsulfonyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C25H24N4O5S MolecularWeight: 492.54686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N4O5S/c30-23(11-12-29-25(32)22-8-4-3-7-21(22)24(31)26-29)27-13-15-28(16-14-27)35(33,34)20-10-9-18-5-1-2-6-19(18)17-20/h1-10,17H,11-16H2,(H,26,31)