(2R)-2-(5-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate

Systemtic Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate Openeye Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-(4-thiomorpholin-4-iumyl)acetate IUPAC Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c25-20(14-4-2-1-3-5-14)23-15-6-7-18-16(12-15)17(13-22-18)19(21(26)27)24-8-10-28-11-9-24/h1-7,12-13,19,22H,8-11H2,(H,23,25)(H,26,27)/t19-/m1/s1