N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C19H23N3O7S2 MolecularWeight: 469.53182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O7S2/c1-3-29-17-9-7-15(12-19(17)31(27,28)21-10-4-5-11-21)20-30(25,26)18-13-16(22(23)24)8-6-14(18)2/h6-9,12-13,20H,3-5,10-11H2,1-2H3