4-[(3-acetamidophenyl)-ethyl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[(3-acetamidophenyl)-ethyl-amino]butane-1-sulfonic acid Openeye Name: 4-(3-acetamido-N-ethyl-anilino)butane-1-sulfonic acid CAS Name: 4-(3-acetamido-N-ethylanilino)-1-butanesulfonic acid IUPAC Name: 4-(3-acetamido-N-ethylanilino)butane-1-sulfonic acid Traditional Name: 4-(3-acetamido-N-ethyl-anilino)butane-1-sulfonic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCS(=O)(=O)O)C1=CC=CC(=C1)NC(=O)C

Isomeric SMILES

CCN(CCCCS(=O)(=O)O)C1=CC=CC(=C1)NC(=O)C

InChI

InChI=1S/C14H22N2O4S/c1-3-16(9-4-5-10-21(18,19)20)14-8-6-7-13(11-14)15-12(2)17/h6-8,11H,3-5,9-10H2,1-2H3,(H,15,17)(H,18,19,20)