4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-5H-1,4-thiazepine-5-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-5H-1,4-thiazepine-5-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-5H-1,4-thiazepine-5-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-5H-1,4-thiazepine-5-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-5H-1,4-thiazepine-5-carbohydroxamic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=CC2C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=CSC=CC2C(=O)NO

InChI

InChI=1S/C16H16N2O5S2/c1-2-3-10-23-13-4-6-14(7-5-13)25(21,22)18-9-12-24-11-8-15(18)16(19)17-20/h4-9,11-12,15,20H,10H2,1H3,(H,17,19)