N-(8-methylquinolin-5-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(8-methylquinolin-5-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(8-methyl-5-quinolyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(8-methyl-5-quinolinyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(8-methylquinolin-5-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(8-methyl-5-quinolyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C)C=CC=N2

InChI

InChI=1S/C21H23N3O3S2/c1-14-7-9-18(17-6-3-11-22-20(14)17)23-21(25)16-5-4-12-24(13-16)29(26,27)19-10-8-15(2)28-19/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,23,25)