4-[4-(4-chlorophenyl)thiophen-2-yl]sulfonyl-1-prop-1-ynyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(4-chlorophenyl)thiophen-2-yl]sulfonyl-1-prop-1-ynyl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-(4-chlorophenyl)-2-thienyl]sulfonyl]-1-prop-1-ynyl-piperidine-4-carboxylic acid CAS Name: 4-[[4-(4-chlorophenyl)-2-thiophenyl]sulfonyl]-1-prop-1-ynyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenyl)thiophen-2-yl]sulfonyl-1-prop-1-ynylpiperidine-4-carboxylic acid Traditional Name: 4-[[4-(4-chlorophenyl)-2-thienyl]sulfonyl]-1-prop-1-ynyl-isonipecotic acid Formula: C19H18ClNO4S2 MolecularWeight: 423.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC#CN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO4S2/c1-2-9-21-10-7-19(8-11-21,18(22)23)27(24,25)17-12-15(13-26-17)14-3-5-16(20)6-4-14/h3-6,12-13H,7-8,10-11H2,1H3,(H,22,23)