butyl 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoate

Systemtic Name: butyl 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoate Openeye Name: butyl 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoate CAS Name: 4-[4-(1-azepanyl)phenyl]sulfonylbenzoic acid butyl ester IUPAC Name: butyl 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoate Traditional Name: 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid butyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H29NO4S/c1-2-3-18-28-23(25)19-8-12-21(13-9-19)29(26,27)22-14-10-20(11-15-22)24-16-6-4-5-7-17-24/h8-15H,2-7,16-18H2,1H3