3-(4-but-2-ynoxyphenyl)-3-methyl-N-oxidanyl-N-(prop-2-ynylamino)-2-sulfonyl-butanamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-3-methyl-N-oxidanyl-N-(prop-2-ynylamino)-2-sulfonyl-butanamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-N-(prop-2-ynylamino)-2-sulfonyl-butanamide CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-N-(prop-2-ynylamino)-2-sulfonylbutanamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-N-(prop-2-ynylamino)-2-sulfonylbutanamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-N-(propargylamino)-2-sulfonyl-butyramide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C(C)(C)C(=S(=O)=O)C(=O)N(NCC#C)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C(C)(C)C(=S(=O)=O)C(=O)N(NCC#C)O

InChI

InChI=1S/C18H20N2O5S/c1-5-7-13-25-15-10-8-14(9-11-15)18(3,4)16(26(23)24)17(21)20(22)19-12-6-2/h2,8-11,19,22H,12-13H2,1,3-4H3