methyl 5-bromanyl-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate

Systemtic Name: methyl 5-bromanyl-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate Openeye Name: methyl 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate CAS Name: 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoate Traditional Name: 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid methyl ester Formula: C24H29BrN2O5S MolecularWeight: 537.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)OC)Br)C

Isomeric SMILES

CCN(CC)CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)OC)Br)C

InChI

InChI=1S/C24H29BrN2O5S/c1-6-27(7-2)14-8-9-15-32-20-10-12-21(13-11-20)33(29,30)26(4)23-18(3)16-19(25)17-22(23)24(28)31-5/h10-13,16-17H,6-7,14-15H2,1-5H3