methyl 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(hexadecylsulfonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(cetylsulfonylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C28H46N2O4S MolecularWeight: 506.74084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-35(32,33)30-27(28(31)34-2)22-24-23-29-26-20-17-16-19-25(24)26/h16-17,19-20,23,27,29-30H,3-15,18,21-22H2,1-2H3