N-(4-methylphenyl)-N-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]methanesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]methanesulfonamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-(4-methylphenyl)-N-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]methanesulfonamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-N-(p-tolyl)methanesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N([C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-18-9-11-21(12-10-18)25(29(3,27)28)19(2)22(26)24-15-13-23(14-16-24)17-20-7-5-4-6-8-20/h4-12,19H,13-17H2,1-3H3/p+1/t19-/m1/s1