methyl 4-[[4-[cyclopropylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[cyclopropylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[cyclopropylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[cyclopropylmethyl-(3-methylsulfonylphenyl)sulfonylamino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[cyclopropylmethyl-(3-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[cyclopropylmethyl-(3-mesylphenyl)sulfonyl-amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H32N2O6S2 MolecularWeight: 520.66138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S2/c1-33-25(28)21-10-8-19(9-11-21)17-26-14-12-22(13-15-26)27(18-20-6-7-20)35(31,32)24-5-3-4-23(16-24)34(2,29)30/h3-5,8-11,16,20,22H,6-7,12-15,17-18H2,1-2H3