[5-aminocarbonyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-aminocarbonyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-carbamoyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-carbamoyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [5-carbamoyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (5-carbamoyl-1-tosyl-pyrrolidin-3-yl) ester Formula: C18H19N3O8S2 MolecularWeight: 469.48876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O8S2/c1-12-2-6-15(7-3-12)30(25,26)20-11-14(10-17(20)18(19)22)29-31(27,28)16-8-4-13(5-9-16)21(23)24/h2-9,14,17H,10-11H2,1H3,(H2,19,22)