3-(azepan-1-ylsulfonyl)-4-methoxy-N'-(2-methylphenyl)carbonyl-benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N'-(2-methylphenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N'-(2-methylbenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N'-[(2-methylphenyl)-oxomethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N'-(2-methylbenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N'-o-toluoyl-benzohydrazide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-16-9-5-6-10-18(16)22(27)24-23-21(26)17-11-12-19(30-2)20(15-17)31(28,29)25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,23,26)(H,24,27)