N-(2-azanylethyl)-1-(3,4-dimethylphenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dimethylphenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dimethylbenzoyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-dimethylphenyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dimethylbenzoyl)-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dimethylbenzoyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4O4S/c1-14-3-4-16(13-15(14)2)21(28)25-11-12-26(20(25)19(27)24-10-9-23)31(29,30)18-7-5-17(22)6-8-18/h3-8,13,20H,9-12,23H2,1-2H3,(H,24,27)