1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-indolin-1-yl-2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylpropan-1-one Traditional Name: 1-indolin-1-yl-2-[(4-methyl-6-piperidinosulfonyl-2-quinolyl)thio]propan-1-one Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SC(C)C(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SC(C)C(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O3S2/c1-18-16-25(33-19(2)26(30)29-15-12-20-8-4-5-9-24(20)29)27-23-11-10-21(17-22(18)23)34(31,32)28-13-6-3-7-14-28/h4-5,8-11,16-17,19H,3,6-7,12-15H2,1-2H3