N-tert-butyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[4-(3-thenyl)piperazin-4-ium-1-yl]benzenesulfonamide Formula: C19H27N4O4S2+ MolecularWeight: 439.57208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-19(2,3)20-29(26,27)16-4-5-17(18(12-16)23(24)25)22-9-7-21(8-10-22)13-15-6-11-28-14-15/h4-6,11-12,14,20H,7-10,13H2,1-3H3/p+1