(4-bromanyl-3,5-dimethoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-15-5-7-17(8-6-15)30(26,27)24-10-4-9-23(11-12-24)21(25)16-13-18(28-2)20(22)19(14-16)29-3/h5-8,13-14H,4,9-12H2,1-3H3