N-(3-chlorophenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(3-chlorophenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(3-chlorophenyl)-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide CAS Name: N-(3-chlorophenyl)-2-oxo-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(3-chlorophenyl)-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(3-chlorophenyl)-2-keto-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Formula: C19H21ClN3O4S+ MolecularWeight: 422.90574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c20-14-5-4-6-15(11-14)21-28(25,26)16-7-8-17-18(12-16)27-19(24)23(17)13-22-9-2-1-3-10-22/h4-8,11-12,21H,1-3,9-10,13H2/p+1