2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-p-phenetylsulfonylpiperazino)methyl]benzonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N3O3S/c1-2-26-19-7-9-20(10-8-19)27(24,25)23-13-11-22(12-14-23)16-18-6-4-3-5-17(18)15-21/h3-10H,2,11-14,16H2,1H3