N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)isonipecotamide Formula: C22H28ClN5O3S MolecularWeight: 478.00742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN5O3S/c23-20-8-9-21(26-25-20)27-14-10-17(11-15-27)22(29)24-18-6-5-7-19(16-18)32(30,31)28-12-3-1-2-4-13-28/h5-9,16-17H,1-4,10-15H2,(H,24,29)