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

Systemtic Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[2-(4-chlorobenzyl)pyrazol-3-yl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-30(28,29)26-12-2-3-16-13-17(6-9-19(16)26)21(27)24-20-10-11-23-25(20)14-15-4-7-18(22)8-5-15/h4-11,13H,2-3,12,14H2,1H3,(H,24,27)