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

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C20H24ClN4O4S+ MolecularWeight: 451.94696

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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(=CC=C4)Cl)OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4S/c1-23-18-6-5-17(14-19(18)29-20(23)26)30(27,28)22-7-8-24-9-11-25(12-10-24)16-4-2-3-15(21)13-16/h2-6,13-14,22H,7-12H2,1H3/p+1