4-chloranyl-N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(2-methoxy-5-nitrophenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(2-methoxy-5-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

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