1-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-butyl]urea CAS Name: [(2S)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]urea IUPAC Name: [(2S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1S)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-butyl]urea Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-13(2)11-16(21-19(20)25)18(24)22-7-9-23(10-8-22)28(26,27)17-6-5-14(3)12-15(17)4/h5-6,12-13,16H,7-11H2,1-4H3,(H3,20,21,25)/t16-/m0/s1