N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-piperidinosulfonyl-benzamide Formula: C25H30N5O4S+ MolecularWeight: 496.6018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C25H29N5O4S/c31-25(19-7-6-8-20(17-19)35(32,33)30-11-4-1-5-12-30)28-24-21-9-2-3-10-22(21)26-23(27-24)18-29-13-15-34-16-14-29/h2-3,6-10,17H,1,4-5,11-16,18H2,(H,26,27,28,31)/p+1