1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-5-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-5-carboxylic acid Openeye Name: 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-5-carboxylic acid CAS Name: 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]-5-indolecarboxylic acid IUPAC Name: 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-5-carboxylic acid Traditional Name: 1-[(2S)-2-(mesitylsulfonylamino)butyl]indole-5-carboxylic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=CC2=C1C=CC(=C2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC[C@@H](CN1C=CC2=C1C=CC(=C2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H26N2O4S/c1-5-19(23-29(27,28)21-15(3)10-14(2)11-16(21)4)13-24-9-8-17-12-18(22(25)26)6-7-20(17)24/h6-12,19,23H,5,13H2,1-4H3,(H,25,26)/t19-/m0/s1