methyl 1-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]cycloheptanecarboxylate CAS Name: 1-[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C20H27ClN2O6S MolecularWeight: 458.95618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27ClN2O6S/c1-28-19(25)20(8-4-2-3-5-9-20)22-18(24)15-6-7-16(21)17(14-15)30(26,27)23-10-12-29-13-11-23/h6-7,14H,2-5,8-13H2,1H3,(H,22,24)