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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(2-methoxyphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C21H29N5O5S MolecularWeight: 463.55046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-23(2)11-10-22-32(29,30)17-8-9-18(20(16-17)26(27)28)24-12-14-25(15-13-24)19-6-4-5-7-21(19)31-3/h4-9,16,22H,10-15H2,1-3H3