(2S)-2-(1-adamantylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O3S2/c1-14(27-21-11-16-8-17(12-21)10-18(9-16)13-21)20(24)23-7-6-15-2-4-19(5-3-15)28(22,25)26/h2-5,14,16-18H,6-13H2,1H3,(H,23,24)(H2,22,25,26)/t14-,16?,17?,18?,21?/m0/s1