1-(6-chloranylpyridazin-3-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)nipecotamide Formula: C22H28ClN5O4S MolecularWeight: 494.00682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28ClN5O4S/c1-2-32-18-8-7-17(14-19(18)33(30,31)28-12-3-4-13-28)24-22(29)16-6-5-11-27(15-16)21-10-9-20(23)25-26-21/h7-10,14,16H,2-6,11-13,15H2,1H3,(H,24,29)