butyl 4-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[brosyl(ethyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid butyl ester Formula: C28H27BrN2O5S2 MolecularWeight: 615.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H27BrN2O5S2/c1-3-5-16-36-28(33)19-6-10-22(11-7-19)30-27(32)26-18-20-17-23(12-15-25(20)37-26)31(4-2)38(34,35)24-13-8-21(29)9-14-24/h6-15,17-18H,3-5,16H2,1-2H3,(H,30,32)