4-(2,3,3-trimethylindol-4-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2,3,3-trimethylindol-4-yl)butane-1-sulfonic acid Openeye Name: 4-(2,3,3-trimethylindol-4-yl)butane-1-sulfonic acid CAS Name: 4-(2,3,3-trimethyl-4-indolyl)-1-butanesulfonic acid IUPAC Name: 4-(2,3,3-trimethylindol-4-yl)butane-1-sulfonic acid Traditional Name: 4-(2,3,3-trimethylindol-4-yl)butane-1-sulfonic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C1(C)C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=NC2=CC=CC(=C2C1(C)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C15H21NO3S/c1-11-15(2,3)14-12(8-6-9-13(14)16-11)7-4-5-10-20(17,18)19/h6,8-9H,4-5,7,10H2,1-3H3,(H,17,18,19)