methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-chloro-benzoate CAS Name: 3-[[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-chlorobenzoate Traditional Name: 3-[[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C24H29ClN2O5S/c1-24(2,3)18-6-8-19(9-7-18)33(30,31)27-13-11-16(12-14-27)22(28)26-21-15-17(23(29)32-4)5-10-20(21)25/h5-10,15-16H,11-14H2,1-4H3,(H,26,28)