(phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(2-thienylsulfonyl)imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-thiophen-2-ylsulfonyl-1-imidazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-(2-thienylsulfonyl)imidazolidine-1-carboxylic acid benzyl ester Formula: C24H26N4O5S2 MolecularWeight: 514.61704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OCC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)OCC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N4O5S2/c25-15-19-8-4-9-20(14-19)16-26-22(29)23-27(24(30)33-17-18-6-2-1-3-7-18)11-12-28(23)35(31,32)21-10-5-13-34-21/h1-10,13-14,23H,11-12,15-17,25H2,(H,26,29)