2-(6-acetamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(6-acetamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(6-acetamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-(6-acetamido-1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-(6-acetamido-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-(6-acetamido-1H-indol-3-yl)-2-(4-mesylpiperazino)acetic acid Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O5S/c1-11(22)19-12-3-4-13-14(10-18-15(13)9-12)16(17(23)24)20-5-7-21(8-6-20)27(2,25)26/h3-4,9-10,16,18H,5-8H2,1-2H3,(H,19,22)(H,23,24)