1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-(4-tosylpiperazino)-3-pyridyl]urea Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-16-5-8-18(9-6-16)30(28,29)26-13-11-25(12-14-26)19-10-7-17(15-22-19)23-20(27)24-21(2,3)4/h5-10,15H,11-14H2,1-4H3,(H2,23,24,27)