methyl 2-[1-[(2-chloranyl-5-methyl-phenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[(2-chloranyl-5-methyl-phenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[(2-chloro-5-methylanilino)-oxomethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-chloro-5-methylphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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