(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CC=C3)C

InChI

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