(phenylmethyl) 4-thiophen-2-ylsulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-thiophen-2-ylsulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(2-thienylsulfonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-thiophen-2-ylsulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-thiophen-2-ylsulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-thienylsulfonyl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c20-17(23-14-15-6-2-1-3-7-15)18-9-5-10-19(12-11-18)25(21,22)16-8-4-13-24-16/h1-4,6-8,13H,5,9-12,14H2