[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C23H35N3O6S MolecularWeight: 481.6055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

InChI

InChI=1S/C23H35N3O6S/c1-18(2)8-9-24-22(27)17-32-23(28)20-16-19(33(29,30)26-12-14-31-15-13-26)6-7-21(20)25-10-4-3-5-11-25/h6-7,16,18H,3-5,8-15,17H2,1-2H3,(H,24,27)