(1S,2R)-2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H23ClN2O6S MolecularWeight: 430.90302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)O

InChI

InChI=1S/C18H23ClN2O6S/c19-15-6-5-12(28(25,26)21-7-9-27-10-8-21)11-16(15)20-17(22)13-3-1-2-4-14(13)18(23)24/h5-6,11,13-14H,1-4,7-10H2,(H,20,22)(H,23,24)/t13-,14+/m1/s1