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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

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