N-tert-butyl-3-nitro-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]benzenesulfonamide Formula: C22H32N5O4S+ MolecularWeight: 462.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4S/c1-22(2,3)24-32(30,31)19-9-10-20(21(17-19)27(28)29)23-11-12-25-13-15-26(16-14-25)18-7-5-4-6-8-18/h4-10,17,23-24H,11-16H2,1-3H3/p+1