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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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