1-(2,5-dimethylphenyl)-3-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-[6-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridyl]-3-(2,5-dimethylphenyl)urea CAS Name: 1-[6-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea IUPAC Name: 1-[6-[4-(benzenesulfonyl)piperazin-1-yl]pyridin-3-yl]-3-(2,5-dimethylphenyl)urea Traditional Name: 1-[6-(4-besylpiperazino)-3-pyridyl]-3-(2,5-dimethylphenyl)urea Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3S/c1-18-8-9-19(2)22(16-18)27-24(30)26-20-10-11-23(25-17-20)28-12-14-29(15-13-28)33(31,32)21-6-4-3-5-7-21/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,30)