(1S)-1-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethane-1,2-diamine

Systemtic Name: (1S)-1-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethane-1,2-diamine Openeye Name: (1S)-1-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]ethane-1,2-diamine CAS Name: (1S)-1-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]ethane-1,2-diamine IUPAC Name: (1S)-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(6-bromo-1-tosyl-indol-3-yl)ethyl]amine Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C(CN)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)[C@@H](CN)N

InChI

InChI=1S/C17H18BrN3O2S/c1-11-2-5-13(6-3-11)24(22,23)21-10-15(16(20)9-19)14-7-4-12(18)8-17(14)21/h2-8,10,16H,9,19-20H2,1H3/t16-/m1/s1