1-(2-ethoxyphenyl)-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(2-ethoxyphenyl)-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-(2-ethoxyphenyl)-3-[6-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-(2-ethoxyphenyl)-3-[6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(2-ethoxyphenyl)-3-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-o-phenetyl-3-[6-(4-tosylpiperazino)-3-pyridyl]urea Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N5O4S/c1-3-34-23-7-5-4-6-22(23)28-25(31)27-20-10-13-24(26-18-20)29-14-16-30(17-15-29)35(32,33)21-11-8-19(2)9-12-21/h4-13,18H,3,14-17H2,1-2H3,(H2,27,28,31)