2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]pyrimidine Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4S/c25-24(26)17-14-15(29(27,28)23-8-1-2-9-23)4-5-16(17)21-10-12-22(13-11-21)18-19-6-3-7-20-18/h3-7,14H,1-2,8-13H2