N-(2-methoxyphenyl)-5-nitro-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-5-nitro-2-[(6-pyrrolidino-3-pyridyl)methylamino]benzenesulfonamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H25N5O5S/c1-33-21-7-3-2-6-19(21)26-34(31,32)22-14-18(28(29)30)9-10-20(22)24-15-17-8-11-23(25-16-17)27-12-4-5-13-27/h2-3,6-11,14,16,24,26H,4-5,12-13,15H2,1H3