N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)methyl]thiazol-2-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)methyl]-2-thiazolyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[4-[(3-methylpiperidino)methyl]thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O3S2/c1-15-5-3-9-24(12-15)13-18-14-29-21(22-18)23-20(26)17-7-8-19-16(11-17)6-4-10-25(19)30(2,27)28/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,22,23,26)