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

Systemtic Name: N-(2-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(o-tolyl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]methanesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-N-(o-tolyl)methanesulfonamide 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(C3=CC=CC=C3C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O5S2/c1-18-9-11-20(12-10-18)32(29,30)24-14-6-13-23(15-16-24)22(26)17-25(31(3,27)28)21-8-5-4-7-19(21)2/h4-5,7-12H,6,13-17H2,1-3H3