6-azanyl-1-benzamido-3-oxidanylidene-hexane-2-sulfonic acid

Systemtic Name: 6-azanyl-1-benzamido-3-oxidanylidene-hexane-2-sulfonic acid Openeye Name: 6-amino-1-benzamido-3-oxo-hexane-2-sulfonic acid CAS Name: 6-amino-1-benzamido-3-oxo-2-hexanesulfonic acid IUPAC Name: 6-amino-1-benzamido-3-oxohexane-2-sulfonic acid Traditional Name: 6-amino-1-benzamido-3-keto-hexane-2-sulfonic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)CCCN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)CCCN)S(=O)(=O)O

InChI

InChI=1S/C13H18N2O5S/c14-8-4-7-11(16)12(21(18,19)20)9-15-13(17)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,14H2,(H,15,17)(H,18,19,20)