dimethyl-[(1S)-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: [(1S)-2-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-besylpiperazine-1-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C19H26N4O3S2/c1-21(2)18(16-8-13-27-15-16)14-20-19(24)22-9-11-23(12-10-22)28(25,26)17-6-4-3-5-7-17/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,20,24)/p+1/t18-/m1/s1