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

Systemtic Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H28N5O4S+ MolecularWeight: 482.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C24H27N5O4S/c30-24(18-6-5-7-19(16-18)34(31,32)29-10-3-4-11-29)27-23-20-8-1-2-9-21(20)25-22(26-23)17-28-12-14-33-15-13-28/h1-2,5-9,16H,3-4,10-15,17H2,(H,25,26,27,30)/p+1