1-(4-bromophenyl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-bromophenyl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-bromophenyl)-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(4-bromophenyl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-bromophenyl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-(4-tosyl-1,4-diazepan-1-yl)butane-1,4-dione Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-17-3-9-20(10-4-17)30(28,29)25-14-2-13-24(15-16-25)22(27)12-11-21(26)18-5-7-19(23)8-6-18/h3-10H,2,11-16H2,1H3