3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-aniline

Systemtic Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-aniline Openeye Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-aniline CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxyaniline IUPAC Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxyaniline Traditional Name: [3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-phenyl]amine Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO3S/c1-2-3-4-5-6-7-14-26-21-13-10-19(23)15-17(21)16-27(24,25)20-11-8-18(22)9-12-20/h8-13,15H,2-7,14,16,23H2,1H3