1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylbenzyl)-1,4-diazepane Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-17-7-4-5-8-18(17)16-22-11-6-12-23(14-13-22)28(24,25)19-9-10-20(26-2)21(15-19)27-3/h4-5,7-10,15H,6,11-14,16H2,1-3H3