2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[2-(1-imidazolyl)phenyl]methyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-2-(N-mesyl-3,5-dimethyl-anilino)propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H26N4O3S/c1-16-11-17(2)13-20(12-16)26(30(4,28)29)18(3)22(27)24-14-19-7-5-6-8-21(19)25-10-9-23-15-25/h5-13,15,18H,14H2,1-4H3,(H,24,27)