pyridin-2-ylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: pyridin-2-ylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: 2-pyridylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid 2-pyridylmethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C21H26N2O4S/c24-21(27-17-19-7-3-4-14-22-19)13-10-18-8-11-20(12-9-18)28(25,26)23-15-5-1-2-6-16-23/h3-4,7-9,11-12,14H,1-2,5-6,10,13,15-17H2