N,N-dimethyl-3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxy-benzotriazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxy-benzotriazole-5-sulfonamide Openeye Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxy-5-benzotriazolesulfonamide IUPAC Name: 3-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxy-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C22H29N6O4S+ MolecularWeight: 473.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C22H28N6O4S/c1-17(22(29)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18)32-28-21-15-19(33(30,31)25(2)3)9-10-20(21)23-24-28/h4-10,15,17H,11-14,16H2,1-3H3/p+1/t17-/m0/s1