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

Systemtic Name: (3S)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one Openeye Name: (3S)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-indolin-2-one CAS Name: (3S)-5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3-methyl-1,3-dihydroindol-2-one IUPAC Name: (3S)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one Traditional Name: (3S)-5-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-oxindole Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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)Cl)NC1=O

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-14-18-12-17(5-6-19(18)22-20(14)25)28(26,27)24-9-7-23(8-10-24)13-15-3-2-4-16(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,25)/p+1/t14-/m0/s1