N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C20H24N4O5S/c1-28-16-4-2-15(3-5-16)24-12-10-23(11-13-24)9-8-21-30(26,27)17-6-7-18-19(14-17)29-20(25)22-18/h2-7,14,21H,8-13H2,1H3,(H,22,25)/p+1