tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperazine-1-carboxylate CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperazine-1-carboxylate Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCNC3)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCNC3)C=C2

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)25-17(22)20-8-10-21(11-9-20)26(23,24)16-5-4-14-6-7-19-13-15(14)12-16/h4-5,12,19H,6-11,13H2,1-3H3