4-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzenesulfonamide Openeye Name: 4-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzenesulfonamide CAS Name: 4-methyl-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide Traditional Name: 4-methyl-N-(2-nitro-4-pyrrolidinosulfonyl-phenyl)benzenesulfonamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-13-4-6-14(7-5-13)27(23,24)18-16-9-8-15(12-17(16)20(21)22)28(25,26)19-10-2-3-11-19/h4-9,12,18H,2-3,10-11H2,1H3