2-chloranyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide CAS Name: 2-chloro-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-5-nitro-benzamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O6S/c1-28-17-7-5-13(29(26,27)21-8-2-3-9-21)11-16(17)20-18(23)14-10-12(22(24)25)4-6-15(14)19/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)