(3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-5-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-5-yl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-(5-quinolyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-(5-quinolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-5-ylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-(5-quinolyl)nipecotamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-10-19(27-14)28(25,26)23-12-4-5-15(13-23)20(24)22-18-8-2-7-17-16(18)6-3-11-21-17/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,22,24)/t15-/m0/s1