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

Systemtic Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-thiophen-2-ylsulfonyl-imidazolidine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C23H24N4O5S2 MolecularWeight: 500.59046

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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=CS4

Isomeric SMILES

C1CN(C(N1C(=O)OC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H24N4O5S2/c24-15-17-6-4-7-18(14-17)16-25-21(28)22-26(23(29)32-19-8-2-1-3-9-19)11-12-27(22)34(30,31)20-10-5-13-33-20/h1-10,13-14,22H,11-12,15-16,24H2,(H,25,28)