1-methylsulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[2-(phenylmethyl)-3-pyrazolyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-29(27,28)25-13-5-8-17-14-18(9-10-19(17)25)21(26)23-20-11-12-22-24(20)15-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,26)