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

Systemtic Name: methyl 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)14-5-7-15(8-6-14)22-19(24)17-13-16(9-10-18(17)21)29(26,27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,22,24)