2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(4-mesyl-2-nitro-anilino)-1-pyrrolidino-ethanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-22(20,21)10-4-5-11(12(8-10)16(18)19)14-9-13(17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3