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

Systemtic Name: methyl 5-bromanyl-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate Openeye Name: methyl 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate CAS Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoate Traditional Name: 5-bromo-2-[[4-[4-(cyclobutylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid methyl ester Formula: C24H27BrN2O5S MolecularWeight: 535.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)OC)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCNC3CCC3

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)OC)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCNC3CCC3

InChI

InChI=1S/C24H27BrN2O5S/c1-17-15-18(25)16-22(24(28)31-3)23(17)27(2)33(29,30)21-11-9-20(10-12-21)32-14-5-4-13-26-19-7-6-8-19/h9-12,15-16,19,26H,6-8,13-14H2,1-3H3