2-(cyclohexylmethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(cyclohexylmethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclohexylmethyl)-4-(3-morpholinosulfonylphenyl)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylmethyl)-4-[3-(4-morpholinylsulfonyl)phenyl]-4-oxobutanoic acid IUPAC Name: 2-(cyclohexylmethyl)-4-(3-morpholin-4-ylsulfonylphenyl)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylmethyl)-4-keto-4-(3-morpholinosulfonylphenyl)butyric acid Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H29NO6S/c23-20(15-18(21(24)25)13-16-5-2-1-3-6-16)17-7-4-8-19(14-17)29(26,27)22-9-11-28-12-10-22/h4,7-8,14,16,18H,1-3,5-6,9-13,15H2,(H,24,25)