(phenylmethyl) 2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-(4-styrylsulfonyl-1,4-diazepan-1-yl)acetate CAS Name: 2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-(4-styrylsulfonyl-1,4-diazepan-1-yl)acetic acid benzyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c25-22(28-19-21-10-5-2-6-11-21)18-23-13-7-14-24(16-15-23)29(26,27)17-12-20-8-3-1-4-9-20/h1-6,8-12,17H,7,13-16,18-19H2