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

Systemtic Name: (3S)-3-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3S)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-indolin-2-one CAS Name: (3S)-3-methyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3S)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one Traditional Name: (3S)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-oxindole Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-15-18-13-17(7-8-19(18)21-20(15)24)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,21,24)/p+1/t15-/m0/s1