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

Systemtic Name: 2-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide CAS Name: 2-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-nitro-benzamide Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c1-2-29-17-8-5-13(11-18(17)30(27,28)22-9-3-4-10-22)21-19(24)15-7-6-14(23(25)26)12-16(15)20/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)