3-[5-(1,2-oxazinan-2-ylsulfonyl)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[5-(1,2-oxazinan-2-ylsulfonyl)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[5-(oxazinan-2-ylsulfonyl)pentylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[5-(2-oxazinanylsulfonyl)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[5-(oxazinan-2-ylsulfonyl)pentylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[5-(oxazinan-2-ylsulfonyl)pentylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)S(=O)(=O)CCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1CCON(C1)S(=O)(=O)CCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H24N4O5S/c23-17-15(16(18(17)24)21-14-6-9-19-10-7-14)20-8-2-1-5-13-28(25,26)22-11-3-4-12-27-22/h6-7,9-10,20H,1-5,8,11-13H2,(H,19,21)