N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,6-diketo-1H-pyridazin-2-yl)propionamide Formula: C20H26N4O5S MolecularWeight: 434.50924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C=CC(=O)N2)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)