1-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-6-oxopyridazin-3-olate Traditional Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-6-keto-pyridazin-3-olate Formula: C20H25N4O5S- MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C=CC(=N2)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C=CC(=N2)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O5S/c1-15-6-7-16(14-17(15)30(28,29)23-11-4-2-3-5-12-23)21-18(25)10-13-24-20(27)9-8-19(26)22-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,25)(H,22,26)/p-1