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

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[4-(4-methylbenzyl)-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)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-17-4-6-18(7-5-17)16-22-12-3-13-23(15-14-22)21(24)19-8-10-20(11-9-19)27(2,25)26/h4-11H,3,12-16H2,1-2H3