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

Systemtic Name: N2-[[3-(aminomethyl)phenyl]methyl]-N1-(3-methylphenyl)-3-methylsulfonyl-imidazolidine-1,2-dicarboxamide Openeye Name: N2-[[3-(aminomethyl)phenyl]methyl]-3-methylsulfonyl-N1-(m-tolyl)imidazolidine-1,2-dicarboxamide CAS Name: N2-[[3-(aminomethyl)phenyl]methyl]-N1-(3-methylphenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-[[3-(aminomethyl)phenyl]methyl]-1-N-(3-methylphenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide Traditional Name: N'-[3-(aminomethyl)benzyl]-3-mesyl-N-(m-tolyl)imidazolidine-1,2-dicarboxamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C

InChI

InChI=1S/C21H27N5O4S/c1-15-5-3-8-18(11-15)24-21(28)25-9-10-26(31(2,29)30)20(25)19(27)23-14-17-7-4-6-16(12-17)13-22/h3-8,11-12,20H,9-10,13-14,22H2,1-2H3,(H,23,27)(H,24,28)