methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8S/c1-3-32-18-7-6-16(13-19(18)33(29,30)23-8-4-5-9-23)22-20(25)14-10-15(21(26)31-2)12-17(11-14)24(27)28/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,25)