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

Systemtic Name: 3-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5S/c24-22(30)21-18-10-3-4-11-19(18)23(31)28(26-21)15-20(29)25-16-8-7-9-17(14-16)34(32,33)27-12-5-1-2-6-13-27/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H2,24,30)(H,25,29)