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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-(methylamino)-3-nitro-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-3-30-18-9-7-15(13-19(18)31(28,29)23-10-4-5-11-23)22-20(25)14-6-8-16(21-2)17(12-14)24(26)27/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,22,25)