1-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzyl]urea Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-15-3-4-16(2)19(13-15)30(28,29)25-11-9-24(10-12-25)20(26)18-7-5-17(6-8-18)14-23-21(22)27/h3-8,13H,9-12,14H2,1-2H3,(H3,22,23,27)