3-azanyl-4-phenyl-4-sulfanyl-butane-1-sulfonic acid

Systemtic Name: 3-azanyl-4-phenyl-4-sulfanyl-butane-1-sulfonic acid Openeye Name: 3-amino-4-phenyl-4-sulfanyl-butane-1-sulfonic acid CAS Name: 3-amino-4-mercapto-4-phenyl-1-butanesulfonic acid IUPAC Name: 3-amino-4-phenyl-4-sulfanylbutane-1-sulfonic acid Traditional Name: 3-amino-4-mercapto-4-phenyl-butane-1-sulfonic acid Formula: C10H15NO3S2 MolecularWeight: 261.361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

C1=CC=C(C=C1)C(C(CCS(=O)(=O)O)N)S

InChI

InChI=1S/C10H15NO3S2/c11-9(6-7-16(12,13)14)10(15)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,11H2,(H,12,13,14)