2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-N-oxidanyl-3-(2-pyrrolidin-1-ylethylsulfanyl)butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-N-oxidanyl-3-(2-pyrrolidin-1-ylethylsulfanyl)butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-[2-(1-pyrrolidinyl)ethylthio]butanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)butanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-pyrrolidinoethylthio)butanehydroxamic acid Formula: C22H33N3O5S2 MolecularWeight: 483.64452

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCN2CCCC2

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCN2CCCC2

InChI

InChI=1S/C22H33N3O5S2/c1-5-6-16-30-18-9-11-19(12-10-18)32(28,29)24(4)20(21(26)23-27)22(2,3)31-17-15-25-13-7-8-14-25/h9-12,20,27H,7-8,13-17H2,1-4H3,(H,23,26)