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

Systemtic Name: (3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H29ClN2O5S/c1-4-14-31-22-20(24)15-18(16-21(22)30-3)23(27)25-10-5-11-26(13-12-25)32(28,29)19-8-6-17(2)7-9-19/h6-9,15-16H,4-5,10-14H2,1-3H3