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

Systemtic Name: 1-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H32N2O6S/c1-2-30-18-10-9-17(15-19(18)31(28,29)24-13-7-8-14-24)23-20(25)16-22(21(26)27)11-5-3-4-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,23,25)(H,26,27)