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

Systemtic Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O6S/c1-2-32-20-10-8-17(14-21(20)33(30,31)25-11-3-4-12-25)24-22(27)15-5-9-18(23-16-6-7-16)19(13-15)26(28)29/h5,8-10,13-14,16,23H,2-4,6-7,11-12H2,1H3,(H,24,27)