3-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H24N4O6S/c28-20(15-27-22(29)19-11-4-3-10-18(19)21(25-27)23(30)31)24-16-8-7-9-17(14-16)34(32,33)26-12-5-1-2-6-13-26/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,24,28)(H,30,31)