(phenylmethyl) (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-[2-(dimethylsulfamoylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC=CC=C1C2C3=CC(=C(C=C3CCN2C(=O)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC=CC=C1[C@@H]2C3=CC(=C(C=C3CCN2C(=O)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H31N3O6S/c1-29(2)37(32,33)28-23-13-9-8-12-21(23)26-22-17-25(35-4)24(34-3)16-20(22)14-15-30(26)27(31)36-18-19-10-6-5-7-11-19/h5-13,16-17,26,28H,14-15,18H2,1-4H3/t26-/m1/s1