N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C25H32N6O4S2 MolecularWeight: 544.68938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H32N6O4S2/c1-25(2,3)20-14-19(29(4)28-20)24(33)30-10-11-31(37(34,35)21-9-6-12-36-21)23(30)22(32)27-16-18-8-5-7-17(13-18)15-26/h5-9,12-14,23H,10-11,15-16,26H2,1-4H3,(H,27,32)