2-(2-methoxyethylamino)-5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 2-(2-methoxyethylamino)-5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 2-(2-methoxyethylamino)-5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 2-(2-methoxyethylamino)-5-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(2-methoxyethylamino)-5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-(2-methoxyethylamino)-5-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N4O6S/c1-30-12-9-21-19-8-7-16(24(26)27)14-18(19)20(25)22-15-5-4-6-17(13-15)31(28,29)23-10-2-3-11-23/h4-8,13-14,21H,2-3,9-12H2,1H3,(H,22,25)