1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-besyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazine Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c25-24(26)19-9-8-17(16-20(19)22-10-4-5-11-22)21-12-14-23(15-13-21)29(27,28)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15H2