N-(2-dimethylaminoethyl)-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(6-pyrrolidino-3-pyridyl)methylamino]benzenesulfonamide Formula: C20H28N6O4S MolecularWeight: 448.53912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O4S/c1-24(2)12-9-23-31(29,30)17-6-7-18(19(13-17)26(27)28)21-14-16-5-8-20(22-15-16)25-10-3-4-11-25/h5-8,13,15,21,23H,3-4,9-12,14H2,1-2H3