4-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 4-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylate Openeye Name: 4-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylate CAS Name: 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylic acid 4-[7-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl ester IUPAC Name: 4-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylate Traditional Name: 4-methyl-5-phenyl-1,2,4-triazole-3-carboxylic acid 4-(7-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl ester Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(=O)OCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1C(=O)OCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O4S/c1-30-25(22-9-3-2-4-10-22)28-29-26(30)27(33)36-18-8-7-14-31-17-13-21-11-12-24(19-23(21)20-31)37(34,35)32-15-5-6-16-32/h2-4,9-12,19H,5-8,13-18,20H2,1H3