(phenylmethyl) 2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)ethanoate Openeye Name: benzyl 2-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)acetate Traditional Name: 2-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c27-22(30-18-19-7-2-1-3-8-19)17-25-13-6-14-26(16-15-25)31(28,29)21-11-4-9-20-10-5-12-24-23(20)21/h1-5,7-12H,6,13-18H2