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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylpiperazino)methanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c30-26(28-18-16-27(17-19-28)24-8-2-1-3-9-24)22-10-12-25(13-11-22)33(31,32)29-15-14-21-6-4-5-7-23(21)20-29/h1-13H,14-20H2