N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,4-diketo-3H-phthalazin-2-yl)acetamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c27-20(15-26-22(29)19-8-4-3-7-18(19)21(28)24-26)23-16-9-11-17(12-10-16)32(30,31)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,27)(H,24,28)