1,3-benzothiazol-2-ylmethyl 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-tetralin-6-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-tetralin-6-ylsulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N2O4S2/c27-24(30-16-23-25-21-7-3-4-8-22(21)31-23)18-11-13-26(14-12-18)32(28,29)20-10-9-17-5-1-2-6-19(17)15-20/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2