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

Systemtic Name: methyl 4-[[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-7-5-15(6-8-16)14-23-20(25)18-13-17(9-10-19(18)22)30(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)