1,3-benzothiazol-2-ylmethyl 1-butylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-butylsulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-butylsulfonylpiperidine-4-carboxylate CAS Name: 1-butylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-butylsulfonylpiperidine-4-carboxylate Traditional Name: 1-butylsulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N2O4S2/c1-2-3-12-26(22,23)20-10-8-14(9-11-20)18(21)24-13-17-19-15-6-4-5-7-16(15)25-17/h4-7,14H,2-3,8-13H2,1H3