2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)propanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)propanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(3-pyridylmethylsulfanyl)propanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(3-pyridinylmethylthio)propanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(pyridin-3-ylmethylsulfanyl)propanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(3-pyridylmethylthio)propanehydroxamic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CSCC2=CN=CC=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CSCC2=CN=CC=C2)C(=O)NO

InChI

InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24)