4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-15-6-7-18(13-16(15)2)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)