1-[(1-cyclopropylcarbonyl-3,3-dimethyl-2H-indol-5-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-cyclopropylcarbonyl-3,3-dimethyl-2H-indol-5-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(cyclopropanecarbonyl)-3,3-dimethyl-indolin-5-yl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[[1-[cyclopropyl(oxo)methyl]-3,3-dimethyl-2H-indol-5-yl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(cyclopropanecarbonyl)-3,3-dimethyl-indolin-5-yl]sulfonylisonipecotic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C(=O)C4CC4)C

Isomeric SMILES

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C(=O)C4CC4)C

InChI

InChI=1S/C20H26N2O5S/c1-20(2)12-22(18(23)13-3-4-13)17-6-5-15(11-16(17)20)28(26,27)21-9-7-14(8-10-21)19(24)25/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,24,25)