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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-tosyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H32N2O6S/c1-18-6-9-20(10-7-18)33(28,29)26-13-5-12-25(14-15-26)23(27)11-8-19-16-21(30-2)24(32-4)22(17-19)31-3/h6-7,9-10,16-17H,5,8,11-15H2,1-4H3