2-[(phenylmethyl)sulfonylamino]-N-[(2S)-1-phenyl-4-(pyridin-4-ylamino)butan-2-yl]propanamide

Systemtic Name: 2-[(phenylmethyl)sulfonylamino]-N-[(2S)-1-phenyl-4-(pyridin-4-ylamino)butan-2-yl]propanamide Openeye Name: N-[(1S)-1-benzyl-3-(4-pyridylamino)propyl]-2-(benzylsulfonylamino)propanamide CAS Name: 2-[(phenylmethyl)sulfonylamino]-N-[(2S)-1-phenyl-4-(pyridin-4-ylamino)butan-2-yl]propanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[(2S)-1-phenyl-4-(pyridin-4-ylamino)butan-2-yl]propanamide Traditional Name: N-[(1S)-1-benzyl-3-(4-pyridylamino)propyl]-2-(benzylsulfonylamino)propionamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCNC1=CC=NC=C1)CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N[C@H](CCNC1=CC=NC=C1)CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O3S/c1-20(29-33(31,32)19-22-10-6-3-7-11-22)25(30)28-24(18-21-8-4-2-5-9-21)14-17-27-23-12-15-26-16-13-23/h2-13,15-16,20,24,29H,14,17-19H2,1H3,(H,26,27)(H,28,30)/t20?,24-/m1/s1