1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-(2-methylbenzyl)-1,4-diazepane Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C22H30N2O4S/c1-17-8-5-6-9-19(17)16-23-10-7-11-24(13-12-23)29(25,26)22-15-21(28-4)20(27-3)14-18(22)2/h5-6,8-9,14-15H,7,10-13,16H2,1-4H3