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

Systemtic Name: (3S)-3-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3S)-3-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-indolin-2-one CAS Name: (3S)-3-methyl-5-[[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3S)-3-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: (3S)-3-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-oxindole Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C21H25N3O4S/c1-16-19-15-18(7-8-20(19)22-21(16)25)29(26,27)24-11-9-23(10-12-24)13-14-28-17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1