3-(4-but-2-ynoxyphenyl)-1-methyl-N-oxidanyl-2-sulfonyl-1,4-diazepane-5-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-N-oxidanyl-2-sulfonyl-1,4-diazepane-5-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-1,4-diazepane-5-carbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-methyl-2-sulfonyl-1,4-diazepane-5-carboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-methyl-2-sulfonyl-1,4-diazepane-5-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-1,4-diazepane-5-carbohydroxamic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2C(=S(=O)=O)N(CCC(N2)C(=O)NO)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2C(=S(=O)=O)N(CCC(N2)C(=O)NO)C

InChI

InChI=1S/C17H21N3O5S/c1-3-4-11-25-13-7-5-12(6-8-13)15-17(26(23)24)20(2)10-9-14(18-15)16(21)19-22/h5-8,14-15,18,22H,9-11H2,1-2H3,(H,19,21)