2-[4-(3-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-ethoxy-4-methoxy-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-ethoxy-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-ethoxy-4-methoxy-benzoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-3-29-19-14-16(8-9-18(19)28-2)21(25)23-10-12-24(13-11-23)30(26,27)20-7-5-4-6-17(20)15-22/h4-9,14H,3,10-13H2,1-2H3