2-chloranyl-7-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]quinoline

Systemtic Name: 2-chloranyl-7-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]quinoline Openeye Name: 2-chloro-7-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]quinoline CAS Name: 2-chloro-7-methyl-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]quinoline Traditional Name: 2-chloro-7-methyl-3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]quinoline Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-14-4-5-15-11-16(21(22)23-18(15)10-14)13-30-20-7-6-17(12-19(20)25(26)27)31(28,29)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9,13H2,1H3