4-ethoxy-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-3-30-18-9-7-15(13-17(18)24(26)27)21(25)22-16-8-10-19(31-4-2)20(14-16)32(28,29)23-11-5-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)