(4-oxidanylidene-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H26ClNO5S/c24-20-13-12-19(17-22(20)31(28,29)25-14-6-1-2-7-15-25)23(27)30-16-8-11-21(26)18-9-4-3-5-10-18/h3-5,9-10,12-13,17H,1-2,6-8,11,14-16H2