methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C20H23BrN2O5S2/c1-12-10-13(8-9-15(12)21)23(30(3,26)27)11-17(24)22-19-18(20(25)28-2)14-6-4-5-7-16(14)29-19/h8-10H,4-7,11H2,1-3H3,(H,22,24)