[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-16-8-9-18(30(26,27)23-10-12-28-13-11-23)14-19(16)21(25)29-15-20(24)22-17-6-4-2-3-5-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3,(H,22,24)