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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-methyl-3-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=CC(=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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