(3-chlorophenyl)-[[3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide

Systemtic Name: (3-chlorophenyl)-[[3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide Openeye Name: (3-chlorophenyl)-[[3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazol-5-yl]sulfonyl]azanide CAS Name: (3-chlorophenyl)-[[3-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide IUPAC Name: (3-chlorophenyl)-[[3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide Traditional Name: (3-chlorophenyl)-[[3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazol-5-yl]sulfonyl]azanide Formula: C19H20ClN3O3S2 MolecularWeight: 437.9634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)[N-]C4=CC(=CC=C4)Cl)OC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)[N-]C4=CC(=CC=C4)Cl)OC2=S

InChI

InChI=1S/C19H19ClN3O3S2/c20-14-5-4-6-15(11-14)21-28(24,25)16-7-8-18-17(12-16)23(19(27)26-18)13-22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2/q-1/p+1