3,4-dihydro-1H-isoquinolin-2-yl-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone Openeye Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methanone IUPAC Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(4-benzylpiperazino)sulfonylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-27(29-14-13-23-9-4-5-10-25(23)21-29)24-11-6-12-26(19-24)34(32,33)30-17-15-28(16-18-30)20-22-7-2-1-3-8-22/h1-12,19H,13-18,20-21H2