N-[8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: N-[8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-yl]ethanamide Openeye Name: N-[1-(benzyloxymethyl)-8-methoxy-2-(p-tolylsulfonyl)-1H-isoquinolin-7-yl]acetamide CAS Name: N-[8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-yl]acetamide IUPAC Name: N-[8-methoxy-2-(4-methylphenyl)sulfonyl-1-(phenylmethoxymethyl)-1H-isoquinolin-7-yl]acetamide Traditional Name: N-[1-(benzoxymethyl)-8-methoxy-2-tosyl-1H-isoquinolin-7-yl]acetamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)NC(=O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-19-9-12-23(13-10-19)35(31,32)29-16-15-22-11-14-24(28-20(2)30)27(33-3)26(22)25(29)18-34-17-21-7-5-4-6-8-21/h4-16,25H,17-18H2,1-3H3,(H,28,30)