2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=NC=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=NC=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

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