8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-amine

Systemtic Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-amine Openeye Name: 1-(benzyloxymethyl)-8-methoxy-2-(p-tolylsulfonyl)-1H-isoquinolin-7-amine CAS Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-amine IUPAC Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-amine Traditional Name: [1-(benzoxymethyl)-8-methoxy-2-tosyl-1H-isoquinolin-7-yl]amine Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2COCC4=CC=CC=C4)C(=C(C=C3)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2COCC4=CC=CC=C4)C(=C(C=C3)N)OC

InChI

InChI=1S/C25H26N2O4S/c1-18-8-11-21(12-9-18)32(28,29)27-15-14-20-10-13-22(26)25(30-2)24(20)23(27)17-31-16-19-6-4-3-5-7-19/h3-15,23H,16-17,26H2,1-2H3