3-[(4-methylphenyl)-(phenylsulfonyl)amino]-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)-(phenylsulfonyl)amino]-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide Openeye Name: 3-[N-(benzenesulfonyl)-4-methyl-anilino]-N-[(6-morpholino-3-pyridyl)methyl]propanamide CAS Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide Traditional Name: 3-(N-besyl-4-methyl-anilino)-N-[(6-morpholino-3-pyridyl)methyl]propionamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NCC2=CN=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NCC2=CN=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-21-7-10-23(11-8-21)30(35(32,33)24-5-3-2-4-6-24)14-13-26(31)28-20-22-9-12-25(27-19-22)29-15-17-34-18-16-29/h2-12,19H,13-18,20H2,1H3,(H,28,31)