4-(2-methylindol-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-methylindol-1-yl)butane-1-sulfonic acid Openeye Name: 4-(2-methylindol-1-yl)butane-1-sulfonic acid CAS Name: 4-(2-methyl-1-indolyl)-1-butanesulfonic acid IUPAC Name: 4-(2-methylindol-1-yl)butane-1-sulfonic acid Traditional Name: 4-(2-methylindol-1-yl)butane-1-sulfonic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CCCCS(=O)(=O)O

InChI

InChI=1S/C13H17NO3S/c1-11-10-12-6-2-3-7-13(12)14(11)8-4-5-9-18(15,16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16,17)