2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)hexanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]hexanamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]hexanamide Traditional Name: N-benzyl-2-(7-keto-4-tosyl-1,4-diazepan-1-yl)hexanamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=CC=C1)N2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=CC=C1)N2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H33N3O4S/c1-3-4-10-23(25(30)26-19-21-8-6-5-7-9-21)28-18-17-27(16-15-24(28)29)33(31,32)22-13-11-20(2)12-14-22/h5-9,11-14,23H,3-4,10,15-19H2,1-2H3,(H,26,30)