N2-(2-azanylethyl)-N1-(4-methoxyphenyl)-3-(phenylmethyl)sulfonyl-imidazolidine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-methoxyphenyl)-3-(phenylmethyl)sulfonyl-imidazolidine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-benzylsulfonyl-N1-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-methoxyphenyl)-3-(phenylmethyl)sulfonylimidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-benzylsulfonyl-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-benzylsulfonyl-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)NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O5S/c1-31-18-9-7-17(8-10-18)24-21(28)25-13-14-26(20(25)19(27)23-12-11-22)32(29,30)15-16-5-3-2-4-6-16/h2-10,20H,11-15,22H2,1H3,(H,23,27)(H,24,28)