3-(2-methoxyethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methoxyethyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylquinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]quinazolin-4-one Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S2/c1-31-13-12-24-20(26)16-6-2-3-7-17(16)22-21(24)32-19-9-8-15(14-18(19)25(27)28)33(29,30)23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13H2,1H3