[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H32N2O6S/c25-21(23-19-5-3-1-2-4-6-19)17-30-22(26)12-9-18-7-10-20(11-8-18)31(27,28)24-13-15-29-16-14-24/h7-8,10-11,19H,1-6,9,12-17H2,(H,23,25)