4-[4-[2-(4-chloranyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-chloranyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O4S/c1-15-13-18(22)5-8-20(15)29-16(2)21(26)24-9-11-25(12-10-24)30(27,28)19-6-3-17(14-23)4-7-19/h3-8,13,16H,9-12H2,1-2H3