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

Systemtic Name: 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4-ethoxybenzyl)piperazino]sulfonylbenzonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

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