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

Systemtic Name: N-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide CAS Name: N-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Traditional Name: N-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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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)OC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N(C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O4S/c1-22(27(31)29-19-17-28(18-20-29)21-23-9-5-3-6-10-23)30(35(2,32)33)24-13-15-26(16-14-24)34-25-11-7-4-8-12-25/h3-16,22H,17-21H2,1-2H3/p+1/t22-/m1/s1