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

Systemtic Name: 4-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide Openeye Name: 4-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide CAS Name: 4-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-nitrobenzamide Traditional Name: 4-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-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)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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