N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-ethylsulfonyl-aniline

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-ethylsulfonyl-aniline Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-ethylsulfonyl-aniline CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-ethylsulfonylaniline IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-ethylsulfonylaniline Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(4-esylphenyl)amine Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H16BrNO4S/c1-2-23(19,20)13-5-3-12(4-6-13)18-9-11-7-15-16(8-14(11)17)22-10-21-15/h3-8,18H,2,9-10H2,1H3