2-chloranyl-N-(3-methylbutyl)-5-methylsulfonyl-aniline

Systemtic Name: 2-chloranyl-N-(3-methylbutyl)-5-methylsulfonyl-aniline Openeye Name: 2-chloro-N-isopentyl-5-methylsulfonyl-aniline CAS Name: 2-chloro-N-(3-methylbutyl)-5-methylsulfonylaniline IUPAC Name: 2-chloro-N-(3-methylbutyl)-5-methylsulfonylaniline Traditional Name: (2-chloro-5-mesyl-phenyl)-isoamyl-amine Formula: C12H18ClNO2S MolecularWeight: 275.79482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)CCNC1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H18ClNO2S/c1-9(2)6-7-14-12-8-10(17(3,15)16)4-5-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3