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

Systemtic Name: 4-methyl-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13-8-9-15(12-17(13)22(24)25)28(26,27)20-18-14(2)6-5-7-16(18)19(23)21-10-3-4-11-21/h5-9,12,20H,3-4,10-11H2,1-2H3