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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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