3-chloranyl-4-methyl-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-5-nitro-benzenesulfonamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)C(=O)N3CCCC3

InChI

InChI=1S/C19H20ClN3O5S/c1-12-6-5-7-15(19(24)22-8-3-4-9-22)18(12)21-29(27,28)14-10-16(20)13(2)17(11-14)23(25)26/h5-7,10-11,21H,3-4,8-9H2,1-2H3