N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2-(4-methoxyphenoxy)ethyl-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-22(14-15-30-18-8-6-17(29-2)7-9-18)20-11-10-19(16-21(20)24(25)26)31(27,28)23-12-4-3-5-13-23/h6-11,16H,3-5,12-15H2,1-2H3