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

Systemtic Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C22H29N3O4S/c1-16-9-10-19(15-17(16)2)30(27,28)25-13-11-24(12-14-25)18(3)22(26)23-20-7-5-6-8-21(20)29-4/h5-10,15,18H,11-14H2,1-4H3,(H,23,26)/p+1/t18-/m1/s1