(2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O5S/c1-24-11-3-4-14-12(9-11)13(10-17-14)15(16(20)21)18-5-7-19(8-6-18)25(2,22)23/h3-4,9-10,15,17H,5-8H2,1-2H3,(H,20,21)/t15-/m0/s1