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

Systemtic Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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