4-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: 4-[[(3S)-1-(3-chloro-4-methyl-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3-chloro-4-methyl-phenyl)sulfonylnipecotoyl]amino]benzoate Formula: C20H20ClN2O5S- MolecularWeight: 435.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-13-4-9-17(11-18(13)21)29(27,28)23-10-2-3-15(12-23)19(24)22-16-7-5-14(6-8-16)20(25)26/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)/p-1/t15-/m0/s1