2-(4-methoxyphenyl)sulfonyl-1-(1-methylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-1-(1-methylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-methoxyphenyl)sulfonyl-1-(1-methylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-methoxyphenyl)sulfonyl-1-(1-methyl-2-pyrrolidinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-1-(1-methylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-methoxyphenyl)sulfonyl-1-(1-methylpyrrolidin-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCCC1C2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N2O3S/c1-22-14-5-8-20(22)21-19-7-4-3-6-16(19)13-15-23(21)27(24,25)18-11-9-17(26-2)10-12-18/h3-4,6-7,9-12,20-21H,5,8,13-15H2,1-2H3