phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)sulfonyl-imidazolidine-1-carboxylate

Systemtic Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)sulfonyl-imidazolidine-1-carboxylate Openeye Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)sulfonyl-imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1-imidazolidinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)sulfonylimidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-(4-fluorophenyl)sulfonyl-imidazolidine-1-carboxylic acid phenyl ester Formula: C25H25FN4O5S MolecularWeight: 512.553203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(N1C(=O)OC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O5S/c26-20-9-11-22(12-10-20)36(33,34)30-14-13-29(25(32)35-21-7-2-1-3-8-21)24(30)23(31)28-17-19-6-4-5-18(15-19)16-27/h1-12,15,24H,13-14,16-17,27H2,(H,28,31)