methyl 4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16-6-11-19(30(27,28)24-12-4-3-5-13-24)14-20(16)21(25)23-15-17-7-9-18(10-8-17)22(26)29-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)