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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-ethanoyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: 1-acetyl-N-[3-(aminomethyl)benzyl]-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S2/c1-13(23)21-7-8-22(28(25,26)16-6-3-9-27-16)18(21)17(24)20-12-15-5-2-4-14(10-15)11-19/h2-6,9-10,18H,7-8,11-12,19H2,1H3,(H,20,24)