N-[(2S)-5-(dimethylamino)-3-oxidanyl-1-phenyl-pentan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide

Systemtic Name: N-[(2S)-5-(dimethylamino)-3-oxidanyl-1-phenyl-pentan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-4-(dimethylamino)-2-hydroxy-butyl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide CAS Name: N-[(2S)-5-(dimethylamino)-3-hydroxy-1-phenylpentan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-5-(dimethylamino)-3-hydroxy-1-phenylpentan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-4-(dimethylamino)-2-hydroxy-butyl]-2-[mesyl(methyl)amino]-6-[(2-methylcyclopropyl)methylamino]isonicotinamide Formula: C26H39N5O4S MolecularWeight: 517.68396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1CNC2=NC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CCN(C)C)O)N(C)S(=O)(=O)C

Isomeric SMILES

CC1CC1CNC2=NC(=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(CCN(C)C)O)N(C)S(=O)(=O)C

InChI

InChI=1S/C26H39N5O4S/c1-18-13-21(18)17-27-24-15-20(16-25(29-24)31(4)36(5,34)35)26(33)28-22(23(32)11-12-30(2)3)14-19-9-7-6-8-10-19/h6-10,15-16,18,21-23,32H,11-14,17H2,1-5H3,(H,27,29)(H,28,33)/t18?,21?,22-,23?/m0/s1