2-chloranyl-N-heptyl-5-methylsulfonyl-aniline

Systemtic Name: 2-chloranyl-N-heptyl-5-methylsulfonyl-aniline Openeye Name: 2-chloro-N-heptyl-5-methylsulfonyl-aniline CAS Name: 2-chloro-N-heptyl-5-methylsulfonylaniline IUPAC Name: 2-chloro-N-heptyl-5-methylsulfonylaniline Traditional Name: (2-chloro-5-mesyl-phenyl)-heptyl-amine Formula: C14H22ClNO2S MolecularWeight: 303.84798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCCCCNC1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H22ClNO2S/c1-3-4-5-6-7-10-16-14-11-12(19(2,17)18)8-9-13(14)15/h8-9,11,16H,3-7,10H2,1-2H3