1-(2-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(2-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-(2-methoxyphenyl)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-methoxyphenyl)-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazine Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-30-21-7-3-2-6-19(21)23-14-12-22(13-15-23)18-9-8-17(16-20(18)25(26)27)31(28,29)24-10-4-5-11-24/h2-3,6-9,16H,4-5,10-15H2,1H3