4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(4-acetamidophenyl)sulfonyl-5-indolyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)N4CCN(CC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C21H22N4O5S/c1-15(26)22-17-2-5-19(6-3-17)31(29,30)25-9-8-16-14-18(4-7-20(16)25)23-10-12-24(13-11-23)21(27)28/h2-9,14H,10-13H2,1H3,(H,22,26)(H,27,28)