(3S)-2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[(3-phenoxyphenyl)methyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methylphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-phenoxybenzyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H28N2O4S/c1-22-14-16-28(17-15-22)37(34,35)32-21-25-10-6-5-9-24(25)19-29(32)30(33)31-20-23-8-7-13-27(18-23)36-26-11-3-2-4-12-26/h2-18,29H,19-21H2,1H3,(H,31,33)/t29-/m0/s1