4-chloranyl-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6S/c1-4-13(5-2)29(26,27)14-7-9-18(28-3)16(11-14)21-19(23)12-6-8-15(20)17(10-12)22(24)25/h6-11,13H,4-5H2,1-3H3,(H,21,23)