N-(4-methylphenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(4-methylphenyl)-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Openeye Name: 2-oxo-3-(piperidin-1-ium-1-ylmethyl)-N-(p-tolyl)-1,3-benzoxazole-6-sulfonamide CAS Name: N-(4-methylphenyl)-2-oxo-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(4-methylphenyl)-2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-(piperidin-1-ium-1-ylmethyl)-N-(p-tolyl)-1,3-benzoxazole-6-sulfonamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C[NH+]4CCCCC4

InChI

InChI=1S/C20H23N3O4S/c1-15-5-7-16(8-6-15)21-28(25,26)17-9-10-18-19(13-17)27-20(24)23(18)14-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14H2,1H3/p+1