ethyl 3-[2-(methylsulfonylaminomethyl)piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-(methylsulfonylaminomethyl)piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[2-(methanesulfonamidomethyl)-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCC2CNS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCC2CNS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c1-3-27-17(22)13-8-12(9-15(10-13)20(23)24)16(21)19-7-5-4-6-14(19)11-18-28(2,25)26/h8-10,14,18H,3-7,11H2,1-2H3