6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-26-22-13-12-21(18-23(22)32-25(26)29)33(30,31)28-16-14-27(15-17-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3/p+1