(2S)-2-methyl-1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]indoline-5-carboxamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-18-16-20-17-19(8-9-22(20)27(18)31(2,29)30)23(28)24-10-11-25-12-14-26(15-13-25)21-6-4-3-5-7-21/h3-9,17-18H,10-16H2,1-2H3,(H,24,28)/p+1/t18-/m0/s1