1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-(5-methyl-2-thienyl)-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-(5-methyl-2-thienyl)-4-(4-tosyl-1,4-diazepan-1-yl)butane-1,4-dione Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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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(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H26N2O4S2/c1-16-4-7-18(8-5-16)29(26,27)23-13-3-12-22(14-15-23)21(25)11-9-19(24)20-10-6-17(2)28-20/h4-8,10H,3,9,11-15H2,1-2H3