N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-25-13-10-23-22(25)21(16-6-5-7-17(14-16)32-2)24-19-9-8-18(15-20(19)27(28)29)33(30,31)26-11-3-4-12-26/h5-10,13-15,21,24H,3-4,11-12H2,1-2H3/t21-/m0/s1