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

Systemtic Name: (3,5-dimethylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-5-7-20(8-6-16)27(25,26)23-10-4-9-22(11-12-23)21(24)19-14-17(2)13-18(3)15-19/h5-8,13-15H,4,9-12H2,1-3H3