[3-[(4-methylphenyl)carbonylamino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-[(4-methylphenyl)carbonylamino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-[(4-methylbenzoyl)amino]phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [3-[[(4-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-methylbenzoyl)amino]phenyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [3-(p-toluoylamino)phenyl] ester Formula: C26H25ClN2O5S MolecularWeight: 513.0051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C26H25ClN2O5S/c1-18-8-10-19(11-9-18)25(30)28-20-6-5-7-21(16-20)34-26(31)23-17-22(12-13-24(23)27)35(32,33)29-14-3-2-4-15-29/h5-13,16-17H,2-4,14-15H2,1H3,(H,28,30)