2-(4-aminocarbonyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: 2-(4-aminocarbonyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: 2-(4-carbamoyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-(4-carbamoyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl ester IUPAC Name: 2-(4-carbamoyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-(4-carbamoyl-5-ethyl-1-phenyl-6-sulfamoyl-2H-pyridin-3-yl)ethyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(CC(=C1C(=O)N)CCOC(=O)C2C3=CC=CC=C3CCN2)C4=CC=CC=C4)S(=O)(=O)N

Isomeric SMILES

CCC1=C(N(CC(=C1C(=O)N)CCOC(=O)C2C3=CC=CC=C3CCN2)C4=CC=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C26H30N4O5S/c1-2-20-22(24(27)31)18(16-30(25(20)36(28,33)34)19-9-4-3-5-10-19)13-15-35-26(32)23-21-11-7-6-8-17(21)12-14-29-23/h3-11,23,29H,2,12-16H2,1H3,(H2,27,31)(H2,28,33,34)