2-ethylsulfonyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C23H26N4O3S/c1-3-31(29,30)27-15-20-7-5-4-6-19(20)14-22(27)23(28)25-17(2)18-8-10-21(11-9-18)26-13-12-24-16-26/h4-13,16-17,22H,3,14-15H2,1-2H3,(H,25,28)