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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-9-11-24(12-10-14)30(27,28)17-6-3-15(4-7-17)20(25)23-19-13-16(21(26)29-2)5-8-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)