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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19ClN4O5S/c1-20-16-7-5-13(23(25)26)11-14(16)18(24)21-12-4-6-15(19)17(10-12)29(27,28)22-8-2-3-9-22/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,21,24)