[4-(diphenylmethyl)piperazin-1-yl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C35H37N3O4S MolecularWeight: 595.75098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H37N3O4S/c1-2-42-31-17-19-32(20-18-31)43(40,41)38-26-30-16-10-9-15-29(30)25-33(38)35(39)37-23-21-36(22-24-37)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-20,33-34H,2,21-26H2,1H3