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

Systemtic Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)methanesulfonamide CAS Name: N-(4-methoxyphenyl)-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-methoxyphenyl)methanesulfonamide Traditional Name: N-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-N-(4-methoxyphenyl)methanesulfonamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-18(25(30(3,27)28)20-9-11-21(29-2)12-10-20)22(26)24-15-13-23(14-16-24)17-19-7-5-4-6-8-19/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m1/s1