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

Systemtic Name: (3S)-3-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3S)-3-methyl-5-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-indolin-2-one CAS Name: (3S)-3-methyl-5-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3S)-3-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: (3S)-3-methyl-5-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonyl-oxindole Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CS4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CS4)NC1=O

InChI

InChI=1S/C18H21N3O3S2/c1-13-16-11-15(4-5-17(16)19-18(13)22)26(23,24)21-8-6-20(7-9-21)12-14-3-2-10-25-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,22)/p+1/t13-/m0/s1