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

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)OC1=O

InChI

InChI=1S/C21H26N4O5S/c1-23-19-8-7-18(15-20(19)30-21(23)26)31(27,28)22-9-10-24-11-13-25(14-12-24)16-3-5-17(29-2)6-4-16/h3-8,15,22H,9-14H2,1-2H3/p+1