2-(3,3-dimethyl-2-oxidanylidene-5-piperidin-1-ylsulfonyl-indol-1-yl)ethanoic acid

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-5-piperidin-1-ylsulfonyl-indol-1-yl)ethanoic acid Openeye Name: 2-[3,3-dimethyl-2-oxo-5-(1-piperidylsulfonyl)indolin-1-yl]acetic acid CAS Name: 2-[3,3-dimethyl-2-oxo-5-(1-piperidinylsulfonyl)-1-indolyl]acetic acid IUPAC Name: 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)acetic acid Traditional Name: 2-(2-keto-3,3-dimethyl-5-piperidinosulfonyl-indolin-1-yl)acetic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C1=O)CC(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C1=O)CC(=O)O)C

InChI

InChI=1S/C17H22N2O5S/c1-17(2)13-10-12(25(23,24)18-8-4-3-5-9-18)6-7-14(13)19(16(17)22)11-15(20)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)