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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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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)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)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O7S2/c1-4-30-18-8-7-16(12-20(18)32(28,29)22-9-5-6-10-22)21-31(26,27)19-13-17(23(24)25)11-14(2)15(19)3/h7-8,11-13,21H,4-6,9-10H2,1-3H3