2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(3-morpholin-4-ylpropylsulfanyl)-N-oxidanyl-butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(3-morpholin-4-ylpropylsulfanyl)-N-oxidanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(3-morpholinopropylsulfanyl)butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-[3-(4-morpholinyl)propylthio]butanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-(3-morpholin-4-ylpropylsulfanyl)butanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(3-morpholinopropylthio)butanehydroxamic acid Formula: C23H35N3O6S2 MolecularWeight: 513.6705

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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)SCCCN2CCOCC2

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCCN2CCOCC2

InChI

InChI=1S/C23H35N3O6S2/c1-5-6-15-32-19-8-10-20(11-9-19)34(29,30)25(4)21(22(27)24-28)23(2,3)33-18-7-12-26-13-16-31-17-14-26/h8-11,21,28H,7,12-18H2,1-4H3,(H,24,27)