3-(4-but-2-ynoxyphenyl)-N-oxidanyl-2-sulfonyl-1,4-thiazepane-3-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-N-oxidanyl-2-sulfonyl-1,4-thiazepane-3-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2-sulfonyl-1,4-thiazepane-3-carboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-2-sulfonyl-1,4-thiazepane-3-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)SCCCN2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)SCCCN2)C(=O)NO

InChI

InChI=1S/C16H18N2O5S2/c1-2-3-10-23-13-7-5-12(6-8-13)16(14(19)18-20)15(25(21)22)24-11-4-9-17-16/h5-8,17,20H,4,9-11H2,1H3,(H,18,19)