N-(3-chloranyl-2-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(6-pyrrolidinosulfonyl-2-quinolyl)nipecotamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H29ClN4O3S/c1-18-22(27)7-4-8-23(18)29-26(32)20-6-5-13-30(17-20)25-12-9-19-16-21(10-11-24(19)28-25)35(33,34)31-14-2-3-15-31/h4,7-12,16,20H,2-3,5-6,13-15,17H2,1H3,(H,29,32)