N,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-N,4-dimethyl-benzenesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3O5S2/c1-18-5-9-20(10-6-18)31(27,28)23(3)17-22(26)24-13-4-14-25(16-15-24)32(29,30)21-11-7-19(2)8-12-21/h5-12H,4,13-17H2,1-3H3