4-chloranyl-3-(3-ethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(3-ethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[(3-ethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(3-ethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(3-ethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-chloro-3-(3-ethylpiperidino)sulfonyl-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-2-10-4-3-7-16(9-10)21(19,20)13-8-11(14(17)18)5-6-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)