[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: (4-tosyl-1,4-diazepan-1-yl)-(2,3,4-trimethoxyphenyl)methanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-16-6-8-17(9-7-16)31(26,27)24-13-5-12-23(14-15-24)22(25)18-10-11-19(28-2)21(30-4)20(18)29-3/h6-11H,5,12-15H2,1-4H3