1-methoxy-1-oxidanylidene-3-(1-phenylhexylamino)propane-2-sulfonic acid

Systemtic Name: 1-methoxy-1-oxidanylidene-3-(1-phenylhexylamino)propane-2-sulfonic acid Openeye Name: 1-methoxy-1-oxo-3-(1-phenylhexylamino)propane-2-sulfonic acid CAS Name: 1-methoxy-1-oxo-3-(1-phenylhexylamino)-2-propanesulfonic acid IUPAC Name: 1-methoxy-1-oxo-3-(1-phenylhexylamino)propane-2-sulfonic acid Traditional Name: 1-keto-1-methoxy-3-(1-phenylhexylamino)propane-2-sulfonic acid Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)NCC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)NCC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C16H25NO5S/c1-3-4-6-11-14(13-9-7-5-8-10-13)17-12-15(16(18)22-2)23(19,20)21/h5,7-10,14-15,17H,3-4,6,11-12H2,1-2H3,(H,19,20,21)