N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-methyl-3-isoxazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O5S2/c1-14-10-17(24-31-14)21(28)25-7-8-26(33(29,30)18-6-3-9-32-18)20(25)19(27)23-13-16-5-2-4-15(11-16)12-22/h2-6,9-11,20H,7-8,12-13,22H2,1H3,(H,23,27)