methyl 3-nitro-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(1-propylsulfonyl-4-piperidyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1-propylsulfonyl-4-piperidinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(1-propylsulfonyl-4-piperidyl)carbamoyl]benzoic acid methyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H23N3O7S/c1-3-8-28(25,26)19-6-4-14(5-7-19)18-16(21)12-9-13(17(22)27-2)11-15(10-12)20(23)24/h9-11,14H,3-8H2,1-2H3,(H,18,21)