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

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-15-5-3-6-17(13-15)21(25(2,23)24)12-4-7-18(22)20-14-16-8-10-19-11-9-16/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,20,22)