(3R)-3-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one

Systemtic Name: (3R)-3-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3R)-3-methyl-5-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-indolin-2-one CAS Name: (3R)-3-methyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3R)-3-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: (3R)-3-methyl-5-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]sulfonyl-oxindole Formula: C21H26N3O3S+ MolecularWeight: 400.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C)NC1=O

Isomeric SMILES

C[C@@H]1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC(=C4)C)NC1=O

InChI

InChI=1S/C21H25N3O3S/c1-15-4-3-5-17(12-15)14-23-8-10-24(11-9-23)28(26,27)18-6-7-20-19(13-18)16(2)21(25)22-20/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1