[5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-2-furanyl]methyl ester IUPAC Name: [5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N2O5S2/c1-14(20)23-13-16-6-5-15(24-16)12-18-7-3-8-19(10-9-18)26(21,22)17-4-2-11-25-17/h2,4-6,11H,3,7-10,12-13H2,1H3