N-[[3-(aminomethyl)phenyl]methyl]-1-(3,3-dimethylbutanoyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3,3-dimethylbutanoyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3,3-dimethylbutanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3,3-dimethyl-1-oxobutyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3,3-dimethylbutanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(3,3-dimethylbutanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(C1C(=O)NCC2=CC=CC(=C2)CN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(C1C(=O)NCC2=CC=CC(=C2)CN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N4O4S2/c1-22(2,3)13-18(27)25-9-10-26(32(29,30)19-8-5-11-31-19)21(25)20(28)24-15-17-7-4-6-16(12-17)14-23/h4-8,11-12,21H,9-10,13-15,23H2,1-3H3,(H,24,28)