N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H28N4O3S/c1-2-35(33,34)31-18-21-13-7-6-12-20(21)17-25(31)27(32)30-24(16-19-10-4-3-5-11-19)26-28-22-14-8-9-15-23(22)29-26/h3-15,24-25H,2,16-18H2,1H3,(H,28,29)(H,30,32)/t24-,25?/m0/s1