4-[4-(2,3,4-trimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,3,4-trimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2,3,4-trimethoxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O6S MolecularWeight: 445.48882

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-28-18-9-8-17(19(29-2)20(18)30-3)21(25)23-10-12-24(13-11-23)31(26,27)16-6-4-15(14-22)5-7-16/h4-9H,10-13H2,1-3H3