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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(6-chloropyridazin-3-yl)nipecotamide 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)C3CCCN(C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

InChI

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