5-[4-bromanyl-2-(phenylsulfonyl)phenoxy]-N-methyl-pentan-1-amine

Systemtic Name: 5-[4-bromanyl-2-(phenylsulfonyl)phenoxy]-N-methyl-pentan-1-amine Openeye Name: 5-[2-(benzenesulfonyl)-4-bromo-phenoxy]-N-methyl-pentan-1-amine CAS Name: 5-[2-(benzenesulfonyl)-4-bromophenoxy]-N-methyl-1-pentanamine IUPAC Name: 5-[2-(benzenesulfonyl)-4-bromophenoxy]-N-methylpentan-1-amine Traditional Name: 5-(2-besyl-4-bromo-phenoxy)pentyl-methyl-amine Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCOC1=C(C=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNCCCCCOC1=C(C=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22BrNO3S/c1-20-12-6-3-7-13-23-17-11-10-15(19)14-18(17)24(21,22)16-8-4-2-5-9-16/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3