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

Systemtic Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol Openeye Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]phenol Traditional Name: 2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]phenol Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c25-20-6-2-1-5-18(20)22-13-11-21(12-14-22)17-8-7-16(15-19(17)24(26)27)30(28,29)23-9-3-4-10-23/h1-2,5-8,15,25H,3-4,9-14H2