(E)-N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[(6-chloro-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[[6-chloro-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[(6-chloro-4-pyrrolidino-quinazolin-2-yl)methyl]-2-phenyl-ethenesulfonamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2C=C(C=C3)Cl)CNS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2C=C(C=C3)Cl)CNS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O2S/c22-17-8-9-19-18(14-17)21(26-11-4-5-12-26)25-20(24-19)15-23-29(27,28)13-10-16-6-2-1-3-7-16/h1-3,6-10,13-14,23H,4-5,11-12,15H2/b13-10+