1-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: [(1S)-1-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]urea CAS Name: [(2S)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: [(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: [(1S)-1-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]urea Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H28N4O4S/c1-16-8-9-17(2)20(14-16)31(29,30)26-12-10-25(11-13-26)21(27)19(24-22(23)28)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H3,23,24,28)/t19-/m0/s1