2-[1-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[1-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[1-[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methyl-1-piperazinyl]ethyl]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[1-[4-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonyl-3-methyl-piperazino]ethyl]-3-(2-methoxyethyl)quinazolin-4-one Formula: C24H28ClN5O6S MolecularWeight: 550.02702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCOC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCOC

InChI

InChI=1S/C24H28ClN5O6S/c1-16-15-27(10-11-29(16)37(34,35)18-8-9-20(25)22(14-18)30(32)33)17(2)23-26-21-7-5-4-6-19(21)24(31)28(23)12-13-36-3/h4-9,14,16-17H,10-13,15H2,1-3H3