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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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(22)5-8-18(19)21(26)29-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)