(3S)-2-ethylsulfonyl-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-methyl-N-(3-thienylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-methyl-N-(3-thiophenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-methyl-N-(3-thenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O3S2/c1-3-25(22,23)20-12-16-7-5-4-6-15(16)10-17(20)18(21)19(2)11-14-8-9-24-13-14/h4-9,13,17H,3,10-12H2,1-2H3/t17-/m0/s1