1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolyl]piperidine-4-carboxamide CAS Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethylquinolin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolyl]isonipecotamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C25H29N3O3S/c1-4-18-6-8-22-21(14-18)24(28-11-9-19(10-12-28)25(26)29)23(15-27-22)32(30,31)20-7-5-16(2)17(3)13-20/h5-8,13-15,19H,4,9-12H2,1-3H3,(H2,26,29)