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

Systemtic Name: methyl 4-[[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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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)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)21-9-11-22(12-10-21)33(30,31)27-15-13-19(14-16-27)23(28)26-17-18-5-7-20(8-6-18)24(29)32-4/h5-12,19H,13-17H2,1-4H3,(H,26,28)