1-[1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: [1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]urea CAS Name: [1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: [1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea Traditional Name: [1-(2-chlorophenyl)-3-[4-(4-cyanophenyl)sulfonylpiperazino]-3-keto-propyl]urea Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(C2=CC=CC=C2Cl)NC(=O)N)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC(C2=CC=CC=C2Cl)NC(=O)N)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN5O4S/c22-18-4-2-1-3-17(18)19(25-21(24)29)13-20(28)26-9-11-27(12-10-26)32(30,31)16-7-5-15(14-23)6-8-16/h1-8,19H,9-13H2,(H3,24,25,29)