2-nitro-N-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H33N5O4S+2 MolecularWeight: 475.60422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4S/c29-28(30)23-18-21(33(31,32)27-11-4-5-12-27)8-9-22(23)24-10-13-25-14-16-26(17-15-25)19-20-6-2-1-3-7-20/h1-3,6-9,18,24H,4-5,10-17,19H2/p+2