methanesulfonic acid; N-oxidanyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide

Systemtic Name: methanesulfonic acid; N-oxidanyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: methanesulfonic acid; 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carbohydroxamic acid CAS Name: N-hydroxy-4-[4-(phenylthio)phenyl]sulfonyl-1-prop-2-ynyl-4-piperidinecarboxamide; methanesulfonic acid IUPAC Name: N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide; methanesulfonic acid Traditional Name: mesylic acid; 4-[4-(phenylthio)phenyl]sulfonyl-1-propargyl-piperidine-4-carbohydroxamic acid Formula: C22H26N2O7S3 MolecularWeight: 526.64604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C#CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C#CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S2.CH4O3S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17;1-5(2,3)4/h1,3-11,25H,12-16H2,(H,22,24);1H3,(H,2,3,4)