1-[1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-[1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: [1-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]urea CAS Name: [1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: [1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: [1-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]urea Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)N)C

InChI

InChI=1S/C22H28N4O4S/c1-16-8-9-19(14-17(16)2)31(29,30)26-12-10-25(11-13-26)21(27)20(24-22(23)28)15-18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H3,23,24,28)