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

Systemtic Name: phenyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: phenyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid phenyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c23-21(26-19-8-4-3-5-9-19)15-12-18-10-13-20(14-11-18)27(24,25)22-16-6-1-2-7-17-22/h3-5,8-11,13-14H,1-2,6-7,12,15-17H2