4-(methylamino)-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(methylamino)-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(methylamino)-3-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(methylamino)-3-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-19-16-8-7-13(11-17(16)22(24)25)18(23)20-14-5-4-6-15(12-14)28(26,27)21-9-2-3-10-21/h4-8,11-12,19H,2-3,9-10H2,1H3,(H,20,23)