cyclopropyl-[2-methyl-4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-quinolin-3-yl]methanone

Systemtic Name: cyclopropyl-[2-methyl-4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-quinolin-3-yl]methanone Openeye Name: cyclopropyl-[2-methyl-4-(4-methylsulfonylphenyl)-6-(1-piperidyl)-3-quinolyl]methanone CAS Name: cyclopropyl-[2-methyl-4-(4-methylsulfonylphenyl)-6-(1-piperidinyl)-3-quinolinyl]methanone IUPAC Name: cyclopropyl-[2-methyl-4-(4-methylsulfonylphenyl)-6-piperidin-1-ylquinolin-3-yl]methanone Traditional Name: cyclopropyl-[4-(4-mesylphenyl)-2-methyl-6-piperidino-3-quinolyl]methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)C5CC5

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)N3CCCCC3)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)C5CC5

InChI

InChI=1S/C26H28N2O3S/c1-17-24(26(29)19-6-7-19)25(18-8-11-21(12-9-18)32(2,30)31)22-16-20(10-13-23(22)27-17)28-14-4-3-5-15-28/h8-13,16,19H,3-7,14-15H2,1-2H3