4-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(2-ethoxyphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-o-phenetylpropanoyl)piperazino]sulfonylbenzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O4S/c1-2-29-21-6-4-3-5-19(21)9-12-22(26)24-13-15-25(16-14-24)30(27,28)20-10-7-18(17-23)8-11-20/h3-8,10-11H,2,9,12-16H2,1H3