[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7S/c1-3-8-18(10-12-4-5-12)16(20)11-26-17(21)13-6-7-15(27(2,24)25)14(9-13)19(22)23/h6-7,9,12H,3-5,8,10-11H2,1-2H3