3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-p-phenetylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O4S/c1-2-27-18-6-8-19(9-7-18)28(25,26)23-12-10-22(11-13-23)20(24)17-5-3-4-16(14-17)15-21/h3-9,14H,2,10-13H2,1H3