N-(3-chloranyl-4-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5)Cl

InChI

InChI=1S/C26H29ClN4O3S/c1-18-6-8-21(16-23(18)27)28-26(32)20-5-4-12-30(17-20)25-11-7-19-15-22(9-10-24(19)29-25)35(33,34)31-13-2-3-14-31/h6-11,15-16,20H,2-5,12-14,17H2,1H3,(H,28,32)