1-[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl]cycloheptanecarboxylic acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O7S/c1-29-18-7-6-16(31(27,28)23-10-12-30-13-11-23)14-17(18)22-19(24)15-21(20(25)26)8-4-2-3-5-9-21/h6-7,14H,2-5,8-13,15H2,1H3,(H,22,24)(H,25,26)