1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-sec-butylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(1-sec-butylbenzotriazol-5-yl)sulfonylisonipecotic acid Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)N=N1

InChI

InChI=1S/C16H22N4O4S/c1-3-11(2)20-15-5-4-13(10-14(15)17-18-20)25(23,24)19-8-6-12(7-9-19)16(21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,22)