N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzenesulfonamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-2-nitro-benzenesulfonamide Formula: C17H19N3O7S2 MolecularWeight: 441.47866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7S2/c1-27-16-9-8-13(29(25,26)19-10-4-5-11-19)12-14(16)18-28(23,24)17-7-3-2-6-15(17)20(21)22/h2-3,6-9,12,18H,4-5,10-11H2,1H3