N-[3-methyl-1-oxidanylidene-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[(5-sulfamoyl-2-thienyl)methylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[(5-sulfamoyl-2-thiophenyl)methylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[(5-sulfamoyl-2-thienyl)methylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(S1)S(=O)(=O)N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(S1)S(=O)(=O)N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O4S2/c1-12(2)18(19(25)23-11-16-3-4-17(29-16)30(22,27)28)24-20(26)21-8-13-5-14(9-21)7-15(6-13)10-21/h3-4,12-15,18H,5-11H2,1-2H3,(H,23,25)(H,24,26)(H2,22,27,28)