5-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]phenyl]pentanoic acid

Systemtic Name: 5-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]phenyl]pentanoic acid Openeye Name: 5-[4-[1-(p-tolylsulfonyl)-4-piperidyl]phenyl]pentanoic acid CAS Name: 5-[4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]phenyl]pentanoic acid IUPAC Name: 5-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]phenyl]pentanoic acid Traditional Name: 5-[4-(1-tosyl-4-piperidyl)phenyl]valeric acid Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)CCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)CCCCC(=O)O

InChI

InChI=1S/C23H29NO4S/c1-18-6-12-22(13-7-18)29(27,28)24-16-14-21(15-17-24)20-10-8-19(9-11-20)4-2-3-5-23(25)26/h6-13,21H,2-5,14-17H2,1H3,(H,25,26)