2-[methylsulfonyl(propyl)amino]-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide

Systemtic Name: 2-[methylsulfonyl(propyl)amino]-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[methylsulfonyl(propyl)amino]-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide CAS Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[methylsulfonyl(propyl)amino]-6-[2-(1-pyrrolidinyl)ethylamino]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[methylsulfonyl(propyl)amino]-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[mesyl(propyl)amino]-6-(2-pyrrolidinoethylamino)isonicotinamide Formula: C25H37N5O4S MolecularWeight: 503.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=CC(=N1)NCCN2CCCC2)C(=O)NC(CC3=CC=CC=C3)CO)S(=O)(=O)C

Isomeric SMILES

CCCN(C1=CC(=CC(=N1)NCCN2CCCC2)C(=O)N[C@@H](CC3=CC=CC=C3)CO)S(=O)(=O)C

InChI

InChI=1S/C25H37N5O4S/c1-3-12-30(35(2,33)34)24-18-21(17-23(28-24)26-11-15-29-13-7-8-14-29)25(32)27-22(19-31)16-20-9-5-4-6-10-20/h4-6,9-10,17-18,22,31H,3,7-8,11-16,19H2,1-2H3,(H,26,28)(H,27,32)/t22-/m0/s1