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

Systemtic Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-17-6-3-4-7-19(17)16-22-12-5-13-23(15-14-22)21(24)18-8-10-20(11-9-18)27(2,25)26/h3-4,6-11H,5,12-16H2,1-2H3