4-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-bromo-4-methoxy-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C19H18BrN3O4S/c1-27-18-7-4-15(12-17(18)20)19(24)22-8-10-23(11-9-22)28(25,26)16-5-2-14(13-21)3-6-16/h2-7,12H,8-11H2,1H3