methyl 4-chloranyl-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-14-6-7-15(13-19(14)30(27,28)24-10-4-3-5-11-24)20(25)23-18-12-16(21(26)29-2)8-9-17(18)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)