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

Systemtic Name: 1-[2-[(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-ethoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-ethoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-ethoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-ethoxy-3-morpholinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C22H32N2O7S MolecularWeight: 468.56368

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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)N3CCOCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H32N2O7S/c1-2-31-18-8-7-17(15-19(18)32(28,29)24-11-13-30-14-12-24)23-20(25)16-22(21(26)27)9-5-3-4-6-10-22/h7-8,15H,2-6,9-14,16H2,1H3,(H,23,25)(H,26,27)