3-[2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazoline-2,4-dione CAS Name: 3-[2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2-chloro-5-(4-ethylpiperazino)sulfonyl-phenyl]-1H-quinazoline-2,4-quinone Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H21ClN4O4S/c1-2-23-9-11-24(12-10-23)30(28,29)14-7-8-16(21)18(13-14)25-19(26)15-5-3-4-6-17(15)22-20(25)27/h3-8,13H,2,9-12H2,1H3,(H,22,27)