[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: (4-phenylpiperazin-1-yl)-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (4-phenylpiperazino)-(2-tosyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c1-21-11-13-25(14-12-21)34(32,33)30-20-23-8-6-5-7-22(23)19-26(30)27(31)29-17-15-28(16-18-29)24-9-3-2-4-10-24/h2-14,26H,15-20H2,1H3