3-methyl-1-[(phenylmethyl)amino]butane-1-sulfonic acid

Systemtic Name: 3-methyl-1-[(phenylmethyl)amino]butane-1-sulfonic acid Openeye Name: 1-(benzylamino)-3-methyl-butane-1-sulfonic acid CAS Name: 3-methyl-1-[(phenylmethyl)amino]-1-butanesulfonic acid IUPAC Name: 1-(benzylamino)-3-methylbutane-1-sulfonic acid Traditional Name: 1-(benzylamino)-3-methyl-butane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NCC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(NCC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-10(2)8-12(17(14,15)16)13-9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,14,15,16)