N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(4-methoxyphenyl)pyrrolidino]-3-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-23(2)14-12-22-31(28,29)18-10-11-20(21(15-18)25(26)27)24-13-4-5-19(24)16-6-8-17(30-3)9-7-16/h6-11,15,19,22H,4-5,12-14H2,1-3H3