2-(2-azanylethanoyl)-3-nonanoyl-benzenesulfonic acid

Systemtic Name: 2-(2-azanylethanoyl)-3-nonanoyl-benzenesulfonic acid Openeye Name: 2-(2-aminoacetyl)-3-nonanoyl-benzenesulfonic acid CAS Name: 2-(2-amino-1-oxoethyl)-3-(1-oxononyl)benzenesulfonic acid IUPAC Name: 2-(2-aminoacetyl)-3-nonanoylbenzenesulfonic acid Traditional Name: 2-glycyl-3-pelargonyl-besylic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)CN

Isomeric SMILES

CCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)CN

InChI

InChI=1S/C17H25NO5S/c1-2-3-4-5-6-7-10-14(19)13-9-8-11-16(24(21,22)23)17(13)15(20)12-18/h8-9,11H,2-7,10,12,18H2,1H3,(H,21,22,23)