2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-ethoxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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