N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S2/c1-13-5-6-14(21(22)23)11-18(13)29(24,25)19-16-12-15(7-8-17(16)28-2)30(26,27)20-9-3-4-10-20/h5-8,11-12,19H,3-4,9-10H2,1-2H3