1-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone

Systemtic Name: 1-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Traditional Name: 1-[3-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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