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

Systemtic Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-benzyl-4-(4-nitro-2-pyrrolidinosulfonyl-phenyl)piperazine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O4S/c26-25(27)19-8-9-20(21(16-19)30(28,29)24-10-4-5-11-24)23-14-12-22(13-15-23)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2