N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22BrN3O5S/c1-21(13-14-11-15(20)5-8-19(14)28-2)17-7-6-16(12-18(17)23(24)25)29(26,27)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3