3-methyl-2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C22H30N4O4S+2 MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C22H28N4O4S/c1-24-20-9-8-19(16-21(20)30-22(24)27)31(28,29)23-10-5-11-25-12-14-26(15-13-25)17-18-6-3-2-4-7-18/h2-4,6-9,16,23H,5,10-15,17H2,1H3/p+2