3-[7-(1,2-oxazinan-2-ylsulfonyl)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[7-(1,2-oxazinan-2-ylsulfonyl)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[7-(oxazinan-2-ylsulfonyl)heptylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[7-(2-oxazinanylsulfonyl)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[7-(oxazinan-2-ylsulfonyl)heptylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[7-(oxazinan-2-ylsulfonyl)heptylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)S(=O)(=O)CCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1CCON(C1)S(=O)(=O)CCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C20H28N4O5S/c25-19-17(18(20(19)26)23-16-8-11-21-12-9-16)22-10-4-2-1-3-7-15-30(27,28)24-13-5-6-14-29-24/h8-9,11-12,22H,1-7,10,13-15H2,(H,21,23)