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

Systemtic Name: 2-(5-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(5-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-(5-methyl-1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-(5-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-(4-mesylpiperazino)-2-(5-methyl-1H-indol-3-yl)acetic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O4S/c1-11-3-4-14-12(9-11)13(10-17-14)15(16(20)21)18-5-7-19(8-6-18)24(2,22)23/h3-4,9-10,15,17H,5-8H2,1-2H3,(H,20,21)