2-(5-benzamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(5-benzamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(5-benzamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-(5-benzamido-1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-(5-benzamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-(5-benzamido-1H-indol-3-yl)-2-(4-mesylpiperazino)acetic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N4O5S/c1-32(30,31)26-11-9-25(10-12-26)20(22(28)29)18-14-23-19-8-7-16(13-17(18)19)24-21(27)15-5-3-2-4-6-15/h2-8,13-14,20,23H,9-12H2,1H3,(H,24,27)(H,28,29)