3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-1-sulfonic acid

Systemtic Name: 3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-1-sulfonic acid Openeye Name: 3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-1-sulfonic acid CAS Name: 3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1-heptanesulfonic acid IUPAC Name: 3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-1-sulfonic acid Traditional Name: 3-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-1-sulfonic acid Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCS(=O)(=O)O)(CN1C=NC=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(CCS(=O)(=O)O)(CN1C=NC=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O3S/c1-2-3-8-16(9-10-24(21,22)23,11-20-13-18-12-19-20)14-4-6-15(17)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,22,23)