N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide Formula: C22H27N4O3S2+ MolecularWeight: 459.60478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H](CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H26N4O3S2/c1-29-21-8-3-2-7-19(21)25-11-13-26(14-12-25)20(18-6-4-10-23-16-18)17-24-31(27,28)22-9-5-15-30-22/h2-10,15-16,20,24H,11-14,17H2,1H3/p+1/t20-/m1/s1