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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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