6-(4-bromophenyl)-2-octylsulfonyl-4-phenyl-thieno[2,3-b]pyridin-3-amine

Systemtic Name: 6-(4-bromophenyl)-2-octylsulfonyl-4-phenyl-thieno[2,3-b]pyridin-3-amine Openeye Name: 6-(4-bromophenyl)-2-octylsulfonyl-4-phenyl-thieno[2,3-b]pyridin-3-amine CAS Name: 6-(4-bromophenyl)-2-octylsulfonyl-4-phenyl-3-thieno[2,3-b]pyridinamine IUPAC Name: 6-(4-bromophenyl)-2-octylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine Traditional Name: [6-(4-bromophenyl)-2-octylsulfonyl-4-phenyl-thieno[2,3-b]pyridin-3-yl]amine Formula: C27H29BrN2O2S2 MolecularWeight: 557.56536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C27H29BrN2O2S2/c1-2-3-4-5-6-10-17-34(31,32)27-25(29)24-22(19-11-8-7-9-12-19)18-23(30-26(24)33-27)20-13-15-21(28)16-14-20/h7-9,11-16,18H,2-6,10,17,29H2,1H3