[5-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C21H27BrN2O5S MolecularWeight: 499.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

InChI

InChI=1S/C21H27BrN2O5S/c1-3-17-13-18(22)5-8-21(17)30(26,27)24-10-4-9-23(11-12-24)14-19-6-7-20(29-19)15-28-16(2)25/h5-8,13H,3-4,9-12,14-15H2,1-2H3