N-(3-chlorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(3-chlorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(3-chlorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(3-chlorophenyl)-3-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(3-chlorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(3-chlorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C19H21ClN3O3S2+ MolecularWeight: 438.97134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)OC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)OC2=S

InChI

InChI=1S/C19H20ClN3O3S2/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/h4-8,11-12,21H,1-3,9-10,13H2/p+1