N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-nitro-benzamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-nitro-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-nitro-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-nitrobenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-methyl-2-nitro-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-3-29-17-10-9-15(13-18(17)30(27,28)22-11-4-5-12-22)21-20(24)16-8-6-7-14(2)19(16)23(25)26/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,24)