2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-(4-pyridylmethyl)propionamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C18H23N3O3S/c1-13-9-14(2)11-17(10-13)21(25(4,23)24)15(3)18(22)20-12-16-5-7-19-8-6-16/h5-11,15H,12H2,1-4H3,(H,20,22)