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

Systemtic Name: (phenylmethyl) 2-[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c29-26(32-21-22-8-2-1-3-9-22)20-27-15-7-16-28(18-17-27)33(30,31)19-14-24-12-6-11-23-10-4-5-13-25(23)24/h1-6,8-13H,7,14-21H2