1-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]cycloheptanecarboxylic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H28N2O6S/c23-18(15-20(19(24)25)9-3-1-2-4-10-20)21-16-5-7-17(8-6-16)29(26,27)22-11-13-28-14-12-22/h5-8H,1-4,9-15H2,(H,21,23)(H,24,25)