N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenyl-3-pyrrolidinyl)methylamino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide Formula: C21H29N5O4S MolecularWeight: 447.55106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2CCN(C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2CCN(C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S/c1-24(2)13-11-23-31(29,30)19-8-9-20(21(14-19)26(27)28)22-15-17-10-12-25(16-17)18-6-4-3-5-7-18/h3-9,14,17,22-23H,10-13,15-16H2,1-2H3