N2-[[3-(aminomethyl)phenyl]methyl]-N1-(4-methoxyphenyl)-3-methylsulfonyl-imidazolidine-1,2-dicarboxamide

Systemtic Name: N2-[[3-(aminomethyl)phenyl]methyl]-N1-(4-methoxyphenyl)-3-methylsulfonyl-imidazolidine-1,2-dicarboxamide Openeye Name: N2-[[3-(aminomethyl)phenyl]methyl]-N1-(4-methoxyphenyl)-3-methylsulfonyl-imidazolidine-1,2-dicarboxamide CAS Name: N2-[[3-(aminomethyl)phenyl]methyl]-N1-(4-methoxyphenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-[[3-(aminomethyl)phenyl]methyl]-1-N-(4-methoxyphenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide Traditional Name: N'-[3-(aminomethyl)benzyl]-3-mesyl-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C

InChI

InChI=1S/C21H27N5O5S/c1-31-18-8-6-17(7-9-18)24-21(28)25-10-11-26(32(2,29)30)20(25)19(27)23-14-16-5-3-4-15(12-16)13-22/h3-9,12,20H,10-11,13-14,22H2,1-2H3,(H,23,27)(H,24,28)