methyl 4-chloranyl-3-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[4-(2-methylpiperidino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

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