(2-methylphenyl)-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methylphenyl)-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylphenyl)-1,4-diazepan-1-yl]-(o-tolyl)methanone Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O3S/c1-16-6-3-4-7-19(16)20(23)22-13-5-12-21(14-15-22)17-8-10-18(11-9-17)26(2,24)25/h3-4,6-11H,5,12-15H2,1-2H3