2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]propanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]propanamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C

InChI

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