1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-octylsulfanyl-azanium

Systemtic Name: 1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-octylsulfanyl-azanium Openeye Name: 1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-octylsulfanyl-ammonium CAS Name: 1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-(octylthio)ammonium IUPAC Name: 1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-octylsulfanylazanium Traditional Name: 1,3-benzothiazol-5-ylsulfonyl-cyclohexyl-ethoxy-(octylthio)ammonium Formula: C23H37N2O3S3+ MolecularWeight: 485.74648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS[N+](C1CCCCC1)(OCC)S(=O)(=O)C2=CC3=C(C=C2)SC=N3

Isomeric SMILES

CCCCCCCCS[N+](C1CCCCC1)(OCC)S(=O)(=O)C2=CC3=C(C=C2)SC=N3

InChI

InChI=1S/C23H37N2O3S3/c1-3-5-6-7-8-12-17-30-25(28-4-2,20-13-10-9-11-14-20)31(26,27)21-15-16-23-22(18-21)24-19-29-23/h15-16,18-20H,3-14,17H2,1-2H3/q+1