methyl 4-[[4-[cyclopropylmethyl-(4-methylsulfonylphenyl)carbonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[cyclopropylmethyl-(4-methylsulfonylphenyl)carbonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[cyclopropylmethyl-[(4-methylsulfonylphenyl)-oxomethyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[cyclopropylmethyl-(4-mesylbenzoyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H32N2O5S/c1-33-26(30)22-7-5-19(6-8-22)17-27-15-13-23(14-16-27)28(18-20-3-4-20)25(29)21-9-11-24(12-10-21)34(2,31)32/h5-12,20,23H,3-4,13-18H2,1-2H3