2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-methoxyphenyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O4S/c1-28-19-9-6-17(7-10-19)8-11-21(25)23-12-14-24(15-13-23)29(26,27)20-5-3-2-4-18(20)16-22/h2-7,9-10H,8,11-15H2,1H3