2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C21H30N7O4S+ MolecularWeight: 476.5724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O4S/c29-28(30)20-17-18(33(31,32)27-11-1-2-12-27)5-6-19(20)22-9-4-10-25-13-15-26(16-14-25)21-23-7-3-8-24-21/h3,5-8,17,22H,1-2,4,9-16H2/p+1