1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C18H27N6O3S+ MolecularWeight: 407.51038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26N6O3S/c1-15(2)19-18(25)17-14-23(21-20-17)11-8-22-9-12-24(13-10-22)28(26,27)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,25)/p+1