(2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18(21(25)22-16-19-8-4-2-5-9-19)23-12-14-24(15-13-23)28(26,27)17-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,22,25)/p+1/t18-/m1/s1