2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-(4-mesylpiperazino)acetic acid Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O5S/c1-12(2)18(24)21-13-4-5-16-14(10-13)15(11-20-16)17(19(25)26)22-6-8-23(9-7-22)29(3,27)28/h4-5,10-12,17,20H,6-9H2,1-3H3,(H,21,24)(H,25,26)