[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H26N2O5S/c1-16-6-4-7-17(14-16)21(24)22-10-5-11-23(13-12-22)29(25,26)20-15-18(27-2)8-9-19(20)28-3/h4,6-9,14-15H,5,10-13H2,1-3H3