3-[4-(azepan-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-quinone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H21N3O4S/c24-19-17-7-3-4-8-18(17)20(25)23(21-19)15-9-11-16(12-10-15)28(26,27)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,24)