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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O4S/c1-34-25-10-8-24(9-11-25)28-16-18-29(19-17-28)27(31)22-6-12-26(13-7-22)35(32,33)30-15-14-21-4-2-3-5-23(21)20-30/h2-13H,14-20H2,1H3