N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(benzenesulfonyl)propanamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-(benzenesulfonyl)propanamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(benzenesulfonyl)propanamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-besyl-propionamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c30-25(15-18-33(31,32)22-11-4-3-5-12-22)26-21-10-8-9-20(19-21)23-13-14-24(28-27-23)29-16-6-1-2-7-17-29/h3-5,8-14,19H,1-2,6-7,15-18H2,(H,26,30)