(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-4-30-21-19(23)14-17(15-20(21)29-3)22(26)24-10-5-11-25(13-12-24)31(27,28)18-8-6-16(2)7-9-18/h6-9,14-15H,4-5,10-13H2,1-3H3