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

Systemtic Name: 3,5-dimethyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-4-isoxazolesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O4S/c1-14-18(16(3)27-20-14)28(25,26)21-15(2)19(24)23-11-9-22(10-12-23)13-17-7-5-4-6-8-17/h4-8,15,21H,9-13H2,1-3H3/p+1/t15-/m0/s1