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

Systemtic Name: 4-chloranyl-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-12-5-4-6-14(18(23)21-9-2-3-10-21)17(12)20-28(26,27)13-7-8-15(19)16(11-13)22(24)25/h4-8,11,20H,2-3,9-10H2,1H3