N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-3-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/c1-27-17-8-7-15(29(25,26)19-9-2-3-10-19)12-16(17)18-28(23,24)14-6-4-5-13(11-14)20(21)22/h4-8,11-12,18H,2-3,9-10H2,1H3