N-(4-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)benzenesulfonamide Formula: C23H23N3O8S2 MolecularWeight: 533.57402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O8S2/c1-33-18-6-4-17(5-7-18)24-35(29,30)20-10-8-19(9-11-20)34-23-13-12-21(16-22(23)26(27)28)36(31,32)25-14-2-3-15-25/h4-13,16,24H,2-3,14-15H2,1H3