(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]nipecotic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-8-6-11(9(2)18-8)19(16,17)13-5-3-4-10(7-13)12(14)15/h6,10H,3-5,7H2,1-2H3,(H,14,15)/t10-/m0/s1