3-methyl-5-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-methyl-5-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-methyl-5-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-5-[[4-(1-phenylcyclohexyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-methyl-5-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-5-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C4(CCCCC4)C5=CC=CC=C5)OC1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C4(CCCCC4)C5=CC=CC=C5)OC1=O

InChI

InChI=1S/C24H29N3O4S/c1-25-21-18-20(10-11-22(21)31-23(25)28)32(29,30)27-16-14-26(15-17-27)24(12-6-3-7-13-24)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3/p+1