(3S)-2-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-m-anisyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24N2O4S/c1-3-27(24,25)22-14-17-9-5-4-8-16(17)12-19(22)20(23)21-13-15-7-6-10-18(11-15)26-2/h4-11,19H,3,12-14H2,1-2H3,(H,21,23)/t19-/m0/s1