4-[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-chloro-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-chloro-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazino]sulfonylbenzonitrile Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H24ClN3O5S/c1-3-12-31-21-19(23)13-17(14-20(21)30-2)22(27)25-8-10-26(11-9-25)32(28,29)18-6-4-16(15-24)5-7-18/h4-7,13-14H,3,8-12H2,1-2H3