5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]-1-pyridin-3-yl-pentan-3-one

Systemtic Name: 5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]-1-pyridin-3-yl-pentan-3-one Openeye Name: 1-(benzylamino)-5-(p-tolylsulfonyl)-1-(3-pyridyl)pentan-3-one CAS Name: 5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]-1-(3-pyridinyl)-3-pentanone IUPAC Name: 1-(benzylamino)-5-(4-methylphenyl)sulfonyl-1-pyridin-3-ylpentan-3-one Traditional Name: 1-(benzylamino)-1-(3-pyridyl)-5-tosyl-pentan-3-one Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2=CN=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2=CN=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O3S/c1-19-9-11-23(12-10-19)30(28,29)15-13-22(27)16-24(21-8-5-14-25-18-21)26-17-20-6-3-2-4-7-20/h2-12,14,18,24,26H,13,15-17H2,1H3