1-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H30N2O6S/c1-2-29-17-9-8-16(14-18(17)30(27,28)23-12-6-7-13-23)22-19(24)15-21(20(25)26)10-4-3-5-11-21/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)(H,25,26)