[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-(4-tosylpiperazino)methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O3S/c1-22-6-12-27(13-7-22)35(33,34)31-18-16-30(17-19-31)28(32)25-10-8-23(9-11-25)20-29-15-14-24-4-2-3-5-26(24)21-29/h2-13H,14-21H2,1H3