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

Systemtic Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(2S)-1-mesyl-2-methyl-indolin-5-yl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H25N3O3S2/c1-15-11-18-12-17(3-4-19(18)23(15)28(2,25)26)20(24)22-8-6-21(7-9-22)13-16-5-10-27-14-16/h3-5,10,12,14-15H,6-9,11,13H2,1-2H3/p+1/t15-/m0/s1