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

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-15-6-7-16(2)18(13-15)22(26(3,24)25)12-4-5-19(23)21-14-17-8-10-20-11-9-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23)