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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H24BrN3O5S MolecularWeight: 498.39066

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24BrN3O5S/c1-22(14-15-12-16(21)6-9-20(15)29-2)18-8-7-17(13-19(18)24(25)26)30(27,28)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3