5-(azepan-1-ylsulfonyl)-N'-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-2-methoxy-benzohydrazide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N'-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-2-methoxy-benzohydrazide Openeye Name: 5-(azepan-1-ylsulfonyl)-N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-2-methoxy-benzohydrazide CAS Name: 5-(1-azepanylsulfonyl)-N'-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-2-methoxybenzohydrazide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-2-methoxybenzohydrazide Traditional Name: 5-(azepan-1-ylsulfonyl)-N'-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]-2-methoxy-benzohydrazide Formula: C28H30ClN3O5S2 MolecularWeight: 588.1379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClN3O5S2/c1-37-26-15-14-24(39(35,36)32-16-4-2-3-5-17-32)18-25(26)28(34)31-30-27(33)21-8-6-20(7-9-21)19-38-23-12-10-22(29)11-13-23/h6-15,18H,2-5,16-17,19H2,1H3,(H,30,33)(H,31,34)