(phenylmethyl) 2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)ethanoate Openeye Name: benzyl 2-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetate Traditional Name: 2-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S2/c21-17(24-15-16-6-2-1-3-7-16)14-19-9-5-10-20(12-11-19)26(22,23)18-8-4-13-25-18/h1-4,6-8,13H,5,9-12,14-15H2