2-[2-[2-[2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[2-[2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethyl methanesulfonate Openeye Name: 2-[2-[2-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[2-[2-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[2-[2-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[2-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethyl ester Formula: C23H27BrN4O9S MolecularWeight: 615.45088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCOCCOCCOCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCOCCOCCOCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H27BrN4O9S/c1-38(31,32)37-12-10-35-8-6-33-5-7-34-9-11-36-22-15-20-19(14-21(22)28(29)30)23(26-16-25-20)27-18-4-2-3-17(24)13-18/h2-4,13-16H,5-12H2,1H3,(H,25,26,27)