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

Systemtic Name: (3S)-3-methyl-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3S)-5-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-indolin-2-one CAS Name: (3S)-3-methyl-5-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3S)-3-methyl-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: (3S)-5-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-oxindole Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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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)C(C)C)NC1=O

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-16(2)19-6-4-18(5-7-19)15-25-10-12-26(13-11-25)30(28,29)20-8-9-22-21(14-20)17(3)23(27)24-22/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,24,27)/p+1/t17-/m0/s1