2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(cetylsulfonylamino)-3-(1H-indol-3-yl)propionic acid Formula: C27H44N2O4S MolecularWeight: 492.71426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C27H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-34(32,33)29-26(27(30)31)21-23-22-28-25-19-16-15-18-24(23)25/h15-16,18-19,22,26,28-29H,2-14,17,20-21H2,1H3,(H,30,31)