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

Systemtic Name: 4-[4-[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3,5-dichloro-4-methoxy-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3,5-dichloro-4-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3,5-dichloro-4-methoxy-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H17Cl2N3O4S MolecularWeight: 454.32698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H17Cl2N3O4S/c1-28-18-16(20)10-14(11-17(18)21)19(25)23-6-8-24(9-7-23)29(26,27)15-4-2-13(12-22)3-5-15/h2-5,10-11H,6-9H2,1H3