(3S)-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-indan-5-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-indan-5-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-27(25,26)23-14-18-7-4-3-6-17(18)13-20(23)21(24)22-19-11-10-15-8-5-9-16(15)12-19/h3-4,6-7,10-12,20H,2,5,8-9,13-14H2,1H3,(H,22,24)/t20-/m0/s1