[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-tosyl-1,4-diazepan-1-yl)-(3,4,5-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=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

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