(phenylmethyl) 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-(4-piazthiol-4-ylsulfonyl-1,4-diazepan-1-yl)acetic acid benzyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4S2/c25-19(28-15-16-6-2-1-3-7-16)14-23-10-5-11-24(13-12-23)30(26,27)18-9-4-8-17-20(18)22-29-21-17/h1-4,6-9H,5,10-15H2