3-(acetamidomethylsulfanyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-oxidanyl-propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-oxidanyl-propanamide Openeye Name: N-[[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-oxo-propyl]sulfanylmethyl]acetamide CAS Name: 3-(acetamidomethylthio)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxypropanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxypropanamide Traditional Name: N-[[[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-keto-propyl]thio]methyl]acetamide Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCNC(=O)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCNC(=O)C)C(=O)NO

InChI

InChI=1S/C16H21N3O6S2/c1-3-4-9-25-13-5-7-14(8-6-13)27(23,24)19-15(16(21)18-22)10-26-11-17-12(2)20/h5-8,15,19,22H,9-11H2,1-2H3,(H,17,20)(H,18,21)