2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-(4-piperidinobenzyl)propionamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C24H33N3O3S/c1-18-14-19(2)16-23(15-18)27(31(4,29)30)20(3)24(28)25-17-21-8-10-22(11-9-21)26-12-6-5-7-13-26/h8-11,14-16,20H,5-7,12-13,17H2,1-4H3,(H,25,28)