1-(4-butoxyphenyl)-3-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[2-(1-tosyl-2-piperidyl)ethyl]urea Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H35N3O4S/c1-3-4-19-32-23-12-10-21(11-13-23)27-25(29)26-17-16-22-7-5-6-18-28(22)33(30,31)24-14-8-20(2)9-15-24/h8-15,22H,3-7,16-19H2,1-2H3,(H2,26,27,29)