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

Systemtic Name: (3S)-2-ethylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-[4-(4-methoxyphenyl)-2-thiazolyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N3O4S2/c1-3-31(27,28)25-13-17-7-5-4-6-16(17)12-20(25)21(26)24-22-23-19(14-30-22)15-8-10-18(29-2)11-9-15/h4-11,14,20H,3,12-13H2,1-2H3,(H,23,24,26)/t20-/m0/s1