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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[2-(3-methoxyphenyl)ethanoyl]-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[2-(3-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[2-(3-methoxyphenyl)-1-oxoethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[2-(3-methoxyphenyl)acetyl]-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-[2-(3-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C25H28N4O5S2 MolecularWeight: 528.64362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N4O5S2/c1-34-21-8-3-5-18(14-21)15-22(30)28-10-11-29(36(32,33)23-9-4-12-35-23)25(28)24(31)27-17-20-7-2-6-19(13-20)16-26/h2-9,12-14,25H,10-11,15-17,26H2,1H3,(H,27,31)