1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carbohydroxamic acid CAS Name: N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-[(phenylthio)methyl]-2,3,4,7-tetrahydroazepine-2-carboxamide IUPAC Name: N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-(phenylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-[(phenylthio)methyl]-2,3,4,7-tetrahydroazepine-2-carbohydroxamic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)CSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)CSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S2/c1-28-17-10-12-19(13-11-17)30(26,27)23-14-6-5-7-16(20(23)21(24)22-25)15-29-18-8-3-2-4-9-18/h2-6,8-13,16,20,25H,7,14-15H2,1H3,(H,22,24)