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

Systemtic Name: 4-(dimethylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-4-31-19-10-8-16(14-20(19)32(29,30)24-11-5-6-12-24)22-21(26)15-7-9-17(23(2)3)18(13-15)25(27)28/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,26)